News and Events

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 [email protected].

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 [email protected].

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:

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 [email protected].

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 [email protected].

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: [email protected].

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 [email protected].

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: [email protected].

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 [email protected] 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: [email protected].

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: