News and Events

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'Retrosynthesis in the AI era: opportunities and pitfalls', which will take place at 5:00 PM (CET) on September, 23.

Last August, a group of researchers from Germany and Ukraine, published an article 'SAR by space: enriching hit sets from the chemical space' (DOI:10.3390/molecules24173096), which describes the application of a new "REAL space" concept for mining compounds from vast chemical spaces. The "REAL space" is the world's largest collection of commercially available compounds now containing approximately 13.14 billion molecules, generated from in-stock building blocks based on 183 Enamine synthesis protocols.

Navigation in the REAL Space is a great opportunity for efficient hit finding including scaffold hopping possibilities. Such capabilities of scaffold hopping allow you to explore IP free areas as well as exclude molecules with undesirable physicochemical and ADMET properties. All these compounds could be made on-demand with a high success rate (above 80 %) within 3-4 weeks. Please try this tool on our website: https://chem-space.com/real-space!

In case of any questions just drop us a line: info@chem-space.com.

Heteroaromatic sulfonyl halides derivatives 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.
 

Targeting RNA with small molecules was suggested after discovering “druggability” of the nucleic acids similar to that of proteins.
The targeting could be aimed at cell processes for the treatment of a multitude of diseases including bacterial/viral infection and cancer.

Our Pre-Plated RNA-targeted Library consists of drug-like compounds and provides an excellent basis for drug discovery projects: https://bit.ly/31Za83u

Chemspace's Pre-Plated RNA-targeted library includes:
~ 15 RNA patterns riboswitches and phosphate binding motifs associated with bacterial and viral infections
~ 4500 compounds from Screening Compound Collection utilizing both ligands- and target-based approaches
~ compounds similar to the known RNA binders with high predicted activity

For more details, please contact us at: info@chem-space.com.

In June 2020, the article 'Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders' (https://bit.ly/3j4lvfS) describing the discovery of "Compound 19" as a selective brain-penetrant inhibitor of the ceramide galactosyltransferase UGT8 was published. This drug candidate shows excellent oral PK/PD in the brain model and is intended for use in substrate reduction therapy for rare lysosomal storage disorders (e.g. Metachromatic Leukodystrophy, MLD). "Compound 19" contains thieno[3,2-b]pyridine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/3ho12lS

Spiro- and aliphatic imidazolidine-2,4-dione derivatives 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.

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

Join our webinar, which will take place TOMORROW at 5:00 PM (CET)! Register now by the link: https://bit.ly/2POex2j

Have a chat with Yurii and Oleksii during this year virtual Drug Discovery Chemistry!

Risdiplam (EVRYSDI), approved by FDA in August 2020, is designed for the treatment of SMA. It contains imidazo[1,2-b]pyridazine moiety. We have created a set of BBs with such part:

In April 2020, the article 'Identification of the Clinical Development Candidate MRTX849, a Covalent KRAS G12C Inhibitor for the Treatment of Cancer' (https://bit.ly/317MscI) describing the discovery of MRTX849 as a potent, selective covalent inhibitor of KRAS G12C, that bind in the switch-II pocket of KRAS, was published. Now this drug candidate is in a Phase 1/2 trials in patients with advanced solid tumors (Non-Small Cell Lung Cancer and Colorectal Cancer) with KRAS G12C mutation. MRTX849 contains 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/2DUM5JO

Spiro Fragments Set = 3K in-stock + 37K make-on-demand compounds.
All compounds in the set have at least 1 spiro moiety, accord with the Ro3, and are free of PAINS and toxic fragments.

For more information please contact us at info@chem-space.com.

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'Artificial Intelligence (AI) Solutions for Computational and Organic Chemistry Tasks', which will take place at 5:00 PM (CET) on August, 27.

Halogen acetylene derivatives of the N-heterocycless are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research.

In April 2020, the article 'Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, Targeting MPS1 Kinase' describing the results of drug discovery from HTS and SBDD was published. BAY1161909 contains substituted [1,2,4]triazolo[1,5-a]pyridin moiety. We have created a set of BBs with such part:

Our General Fragments library consists of 
➤ 94K in-stock + 390K the make-on-demand set small molecules that 
✔ accord with the Rule of 3
✔ contain no PAINS
✔ are filtered from toxic/highly reactive compounds by the in-house filters.

Capmatinib (TABRECTA), approved by FDA in May 2020, is designed for the treatment of non-small cell lung cancer. It contains 2-fluoro-N-methylbenzamide moiety. We have created a set of BBs with such part:

Dear Colleagues,
Thank you all for participating in the webinar yesterday!
For those who did not have the opportunity to connect, the recording is already available https://www.youtube.com/watch?v=eoQdx1HoZuI

Nitriles of the dimethylphosphoryl derivatives 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.

Chemspace offers a Fluorine Fragments Library of small molecules. The major use of fluorinated compounds is 19F NMR-assisted screening in the Fragment-based drug developing projects. For more details please contact us at info@chem-space.com.

In May 2020 the article 'Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif' describing the usage of rational design from the known starting point in drug discovery was published. “Compound (P)-14” contains halogenquinoline moiety. We have created a set of BBs with such part.

Dear friends and colleagues! We would like to invite you to join Chemspace Webinar 'Making virtual REAL: a 2020 q1-2 update', on July, 30. 

Register now at https://attendee.gotowebinar.com/register/3644965017234954510

Chemspace Macrocyclic Compounds Library consists of 254K macrocycles that are in-stock and available for purchase = compounds set + scaffolds of non-peptidic nature that could be further modified as well as totally assembled macrocyclic molecules.

For more information please contact us at info@chem-space.com.

Dear colleagues,
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/iJPXEwS5MKk.

Pemigatinib (PEMAZYRE), approved by FDA in April 2020, is designed for the treatment of unresectable locally advanced or metastatic bile duct cancer (cholangiocarcinoma). It contains 1H-pyrrolo[2,3-b]pyridine moiety. We have created a set of BBs with such part: