News and Events

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for November in case you have missed them.

This September, the article 'Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK' describing discovery of a potent, reversible inhibitor of the Bruton's tyrosine kinase (BTK) "BMS-986143" was published.

Two rotationally stable atropisomeric axes in this compound provide a potent and selective single atropisomer with desirable efficacy and tolerability profiles against targets responsible for many autoimmune diseases.

"BMS-986143" contains 9H-carbazol moiety in its backbone. We have made a set of in-stock compounds, which have such part – the perfect start for your research!

Dear friends and colleagues!

Join the Chemspace & BioSolveIT Webinar 'Chemical Space Docking: Mining Billions of On-Demand Molecules in 3D', which will take place at 5:00 PM (CET) on December, 9.

In this webinar, we introduce the docking of combinatorially describable billion-sized chemical spaces such as Enamine’s REAL Space, or WuXi’s GalaXi®.

Register for the webinar now!

Hetaryl Halides are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Please discover our Framework-Derived Set – a new approach we offer to surf the Chemspace database!

This set is a small but diverse representative library of the Chemspace Screening set. We believe that library design based on the frameworks makes hit expansion and structure-activity studies easy to achieve. From the lead-like part of our in-stock screening collection, we have carefully selected the compounds that have at least 2 "siblings" in means of frameworks. The collection was also prior filtered from PAINS and other undesirable moieties.

To expand the selection, please contact us at info@chem-space.com.

In July 2020, Fostemsavir (RUKOBIA) received approval by the FDA as a new type of antiretroviral medication for adults living with HIV/AIDS.

It is indicated for the treatment of HIV-1 in heavily treatment-experienced patients with multidrug-resistant HIV-1 infection failing their current antiretroviral regimen caused by resistance, intolerance, or safety considerations. Fostemsavir is an HIV-1 glycoprotein 120-directed attachment inhibitor. By blocking this highly conserved area of the virus, it prevents initial viral attachment to the host CD4+ T cell and entry into the host immune cell. Such a path of action is first for HIV drugs.

Fostemsavir contains 1H-pyrrolo[2,3-c]pyridine moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!

Searching analogs to compounds with the known activity is helpful in hit expansion and repurposing projects. ChEMBL database has become an important reference tool containing information on binding, ADME/T, and pharmacologics of small molecules.
From our Screening collection, we have selected the in-stock compounds similar to the know actives from ChEMBL (Tanimoto similarity coefficient 0.6 and higher, Morgan 2 fingerprints, 1024 bit), ChEMBL analogs. Additionally, we have prepared a library of ChEMBL actives as a separate set (in-stock available).
You can download both sets from the website. For make-on-demand ChEMBL actives and ChEMBL analogs, please contact us at info@chem-space.com.

Thanks everyone for joining the webinar yesterday!
For those who didn’t have a chance to connect, the recording is already available: https://youtu.be/ouVCKIysav0

Dear friends and colleagues! Join ChemSpace Webinar ««chem-space.com: an overview», which will take place at 5:00 PM (CET) tomorrow, on November 11. During the webinar we will focus on such topics as: - How does chem-space.com works?...

Alkyl Halides are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

In August 2020, the article 'Aryl Ether-Derived Sphingosine-1-Phosphate Receptor (S1P1) Modulators: Optimization of the PK, PD, and Safety Profiles' describing efforts aimed at increasing the in vivo potency and reducing the elimination half-life among drug candidates against Multiple Sclerosis (MS) was published.

"Compound 3d" was developed as a prodrug that is phosphorylated in vivo to form a potent sphingosine-1-phosphate receptor (S1P1) modulator and possess a shorter predicted human half-life (5 days). "Compound 3d" contains amino-cyclopentyl-methanol moiety in its backbone.

We have made a set of compounds, with analogs of such part – the perfect start for your research!

Discover our new Pre-Plated Covalent Fragments set!

5000 high-quality ready-to-screen compounds pre-plated into 5 subsets.

From this library, cherry-picking is available platewise.

On request, we can prepare more plates with the compounds from our Covalent Fragments and Covalent Modifiers.

Contact us at info@chem-space.com for more details.
Please discover numerous other Chemspace compound sets: https://chem-space.com/compounds

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for October in case you have missed them.

In August 2020, Oliceridine (OLYNVIK) received approval by the FDA for the treatment of acute severe pain in adults. It is an opioid intravenous drug that is a functionally selective μ-opioid receptor agonist.
Oliceridine educes robust G protein signaling, with potency and efficacy similar to morphine, but with far less β-arrestin 2 recruitment and receptor internalization and it displays less adverse effects than morphine.
Oliceridine contains 6-oxaspiro[4.5]decan moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!

1,3-Diazo-heterocycles are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Dear friends and colleagues! 
Join ChemSpace Webinar «chem-space.com: an overview», which will take place at 5:00 PM (CET) on November, 5. 
During the webinar we will focus on such topics as:  How does chem-space.com works? What are the major website functions? ...
 

At Chemspace, our goal is to provide our customers with the largest and most comprehensive chemical space.
Today, we present OpenDEL®. It is a self-serve product, originally released by HitGen in 2015, aimed at simplifying access to DNA encoded libraries (DELs) technology. Since then OpenDEL® has evolved into 2 subsets: small molecule DELs and macrocyclic DELs with a total size of over 40 billion diverse molecules.
Ordering OpenDEL®, you will receive access to compounds and services to decode hits.

Please click here for more information or contact us at info@chem-space.com for more details.

OpenDEL® - Billions in a Vial!

This August, a group of researchers published an article 'Using sulfuramidimidoyl fluorides (SAFs) that undergo sulfur(vi) fluoride exchange for inverse drug discovery', that describes the study of a class of weak electrophiles SAFs, which undergo sulfur(vi) fluoride exchange chemistry. It is shown that binding of a SAF to a protein allows nucleophilic attack by a specific amino acid side chain, leading to conjugate formation.

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'DNA-Encoded Chemical Library at HitGen: Principle, Practice and Application', which will take place at 2:00 PM (CET) tomorrow.

This webinar covers the principle, practice and application of DNA-encoded library technology with proven successes in the selection of various target classes. 

Register for the webinar now!

1H-pyrazole terminal acetylenes are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

In August 2020, the article 'Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases' (https://bit.ly/2SGbPxi) describing the discovery of an ATP-competitive pyrazolopyrazinyl series of TYK2 inhibitors was published. Lead optimization of the set of compounds through structure-based design, led to the identification of the clinical candidate PF-06826647, which binds to the catalytically active JH1 kinase domain. Now this drug candidate is in clinical development (Ph.II) for the treatment of some autoimmune diseases. PF-06826647 contains cyclobutane dinitrile moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/36NG65x

This August, Nifurtimox (LAMPIT) received approval by the FDA for the treatment of Chagas disease (CD) in certain pediatric patients. CD, caused by a parasite known as Trypanosoma cruzi, is a vector-transmitted disease affecting animals and humans in the Americas.
Nifurtimox is a nitrofuran derivative with antiprotozoal and potential antineoplastic activities, which is reduced by cytosol enzymes or flavin-containing microsomal enzymes to a highly reactive nitro anion free radical. It contains 1λ⁶-thiomorpholine-1,1-dione moiety in its backbone.
We have made a set of Building Blocks, which contain such part – the perfect start for your research!

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for September in case you have missed them.
 

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'DNA-Encoded Chemical Library at HitGen: Principle, Practice and Application', which will take place at 2:00 PM (CET) on October, 15.

Please Sign in to the webinar!

DNA-encoded chemical libraries (DEL) is an emerging technology that combines benefits from both high-throughput screening and display technologies. The use of DELs allows to cover enormous chemical space within a surprisingly short time and at a low cost.

DELs are built on “core” building blocks – molecules with 2-3 variation points that are either orthogonal or protected with orthogonal protective groups. Core molecules are decorated with traditional building blocks – compounds with one functionality.

Chemspace offers high-quality Building Blocks suitable as cores and as decorators for DEL.

The In-Stock sets are downloadable from the website; 2-functional and 3-functional "Core" blocks and decorators are available as separate files.