News and Events

Sulfonyl fluorides 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 May 2020 the article 'Discovery of a NAPE-PLD inhibitor that modulates emotional behavior in mice' describing the discovery and characterization of LEI-401 as a CNS-active NAPE-PLD inhibitor was published. It contains tri-substituted pyrimidine moiety. We have created a set of BBs with such part.

Discover our NEW Extended HTS Pre-Plated set with 337 000 compounds! HTS is a useful and sometimes the only tool in drug discovery, especially when there is no target structure available or just cell-based screens are necessary. In vitro tests of a moderately sized diverse library + pre-plated libraries = are ideal candidates because they are inexpensive and readily available! Features of Extended HTS set: - Medchem friendly – over 99% compounds are PAINS-free, and over 80% pass strict BRENK filters - Lead-Like – MW ≤ 400, logP ≤ 4, RB ≤ 4, HBD ≤ 4, HBA ≤ 8 - TPSA ≤ 140 and HAC ≤ 30 https://bit.ly/3f3pic4 Please contact us for more info on plating options at info@chem-space.com.

Users need high potential molecules as a starting point. Thus, ChemAlive and Chem-space have partnered. The Chem-space libraries of synthesizable molecules thus adds a base of molecules from which to request calculations. In this webinar, we will discuss the underlying cheminformatics, quantum physics and software/hardware infrastructure that makes high throughput quantum chemistry possible.

In May 2020, a group of researchers published an article 'Design and synthesis of styrenylcyclopropylamine LSD1 inhibitors' (https://bit.ly/2VlqCPk), describing the investigation of mechanism-based inhibitors of lysine-specific demethylase LSD1. LSD1 has a FAD co-factor which is covalently modified by the cyclopropylamine in compound 34 likely through an electron-transfer mechanism.

Chemspace offers Building Blocks for DEL suitable
as CORES = molecules with 2-3 variation points that are either orthogonal or protected with orthogonal protective groups.
★ 33K bifunctional in-stock
★ 2K trifunctional in-stock
as DECORATORS = compounds with one functionality
★ 116K in-stock

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

The Molecules of This Week are Morpholine analogues. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: info@chem-space.com.

To create a Chemspace Phenotypic Screening Library, we have selected
✔ 29K in-stock molecules
✔ compounds with activity annotations in ChEMBL
✔ compounds with favorable physicochemical profiles

PAINS and toxic molecules have been removed.
Each molecule is annotated with UniProt codes list of reported targets.

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

Selpercatinib (RETEVMO), approved by FDA in May 2020, is designed for the treatment of non-small cell lung cancer and some types of thyroid cancers. It contains pyrazolo[1,5-a]pyridine moiety. We have created a set of BBs with such part.

Chemspace and ChemAlive (the largest repository of quantum chemical data, a Contract Research Company that develops software products to obtain accurate and reliable data on molecular properties, synthetic reactions, verification of molecules using quantum chemistry), announced the launch of the collaboration to provide accurate molecular structural information about commercial small molecules.

Chemspace PPI Modulators Library comprises:
- 6K in-stock PPI Modulators of large, but not “greasy” molecules
- molecules accord with the “Rule of 4” for iPPI
- compounds with functional groups that interact with Arg, Trp, Tyr residues.

In February 2020, a group of researchers from the University of California, San Francisco, published an article, which described the application of a new strategy for covalent targeting to the cap-binding site of eukaryotic translation initiation factor 4E (eIF4E) involved in the growth of cancer cells. We at Chemspace selected the Covalent Modifiers Library, which can be used in the covalent docking and available for further purchasing. 

The Molecules of This Week are Hetaryl esters. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: info@chem-space.com.

Chemspace CNS-Focused Library:
✔ high-quality leadlike, free from PAINS/toxic fragments and aggregators, small molecule compounds;
✔ leadlike and druglike compounds with a probability of blood-brain barrier penetration;
✔ selected using physiochemical property filters and computational methods;
✔ 94K in-stock and 547K make-on-demand compounds.

In April 2020, Tucatinib (TUKYSA) received approval by FDA for the treatment of adults with advanced forms of HER2-positive breast cancer. Tucatinib is a kinase inhibitor meaning it blocks a type of enzyme and helps prevent the cancer cells from growing. This drug contains [1,2,4]-triazolo-[1,5-a]-pyridine moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research! 

Chemspace offers the set of compounds that have a proven activity ⟾ Drug Repurposing Library
- the data on a target, a mechanism of action, a clinical status are taken from Broad Repurposing library
- 866 compounds
- full set or cherry-picked selection

Please contact us at info@chem-space.com for more information.

The Molecules of This Week are Hydrazinylphenols. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: info@chem-space.com.

Opicapone (ONGENTYS), approved FDA in April 2020, is designed for the treatment of patients with Parkinson’s disease. It contains 5-phenyl-1,2,4-oxadiazole moiety. We have created a set of BBs with such part:

Enumerated chemical space of small molecules is a space of similar, but different molecules – structural analogues. Chem-space.com comprises the most complete offer of small molecules in one place. Boost your project with new molecules and their analogues – surf and order them through Chem-space.com.

Fight COVID19 libraries have expanded 
+ Part 3 Fight COVID2 = 5,346 ready-to-ship in-stock compounds that are potentially active against CoV-2 Mpro.
More details at fight_covid19@chem-space.com

The Molecules of This Week are Trifluoroboranuides. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: info@chem-space.com.

Ozanimod (ZEPOSIA), approved FDA in March 2020, is designed for the treatment of Multiple Sclerosis. It contains 5-phenyl-1,2,4-oxadiazole moiety. We have created a set of BBs with such part:

Our RNA-Targeted Library is an excellent basis for drug discovery projects and includes:
~ 15 RNA patterns riboswitches and phosphate binding motifs
~ 4500 compounds
For more details, please contact us at info@chem-space.com.

The Molecules of This Week are Ethynylpyrimidine Halides. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: info@chem-space.com.

Start your Screening campaign with our Hit Discovery Pre-Plated set. The set consists of 144K new compounds, which have been selected from our Screening collection, and designed to facilitate the Screening process. This set is assembled of 5 pre-plated subsets.
For more details, please contact us at info@chem-space.com.