News and Events

Chemspace and LabNetwork collaborate to extend access to chemical databases

Discover updated Chemspace nodes for KNIME. New features available!
Search in 130M Chemspace database or 680M REAL Database from your workflow, see more:
https://chem-space.com/knime-nodes.

Chemspace is by far the largest database of small molecules to search and buy. We offer you a huge number of off-the-shelf compounds provided by world-known suppliers. You, however, can expand the capabilities to design your molecules with make-on-demand analogs from the Chemspace database. Over 90% of our make-on-demand offering includes molecules that could be easily accessed from available reagents via optimized procedures and not custom-synthesized.

Last year was record-breaking for FDA: 59 new drugs have been approved. Out of these, 64% are small-molecule drugs. This fact supports a need for small-molecule drug discovery. At Chemspace, we aim to provide researches with a number of tools and services to power up their projects! 

Chemspace is by far the largest database of small molecules to search and buy. We offer you a huge number of off-the-shelf compounds provided by world-known suppliers. You, however, can expand the capabilities to design your molecules with make-on-demand analogs from the Chemspace database. Over 90% of our make-on-demand offering includes molecules that could be easily accessed from available reagents via optimized procedures and not custom-synthesized.

For few past decades, we have treated RNAs as druggable biomolecules. Chemspace RNA-targeted library is another opportunity to power up your research with the binders we have discovered for 15 binding motifs of the RNAs associated with bacterial and viral infections.

Find out more at RNA-Targeted Library.
 

The known-for-decades motif of pyrimidin-2-amine has continued to emerge in recent medchem projects. ALIQOPA (copanlisib), approved in September 2017 as an anticancer drug, has two pyrimidin-2-amine motifs in its structure! That’s why we have decided tp update our post on the pyrimidin-2-amines adding 210 new in-stock compounds.

Chemspace is by far the largest database of small molecules to search and buy. We offer you a huge number of off-the-shelf compounds provided by world-known suppliers. You, however, can expand the capabilities to design your molecules with make-on-demand analogs from the Chemspace database. Over 90% of our make-on-demand offering includes molecules that could be easily accessed from available reagents via optimized procedures and not custom-synthesized. https://goo.gl/gvuz36

Last year was record-breaking for FDA: 59 new drugs have been approved. Out of these, 64% are small-molecule drugs. This fact supports a need for small-molecule drug discovery. At Chemspace, we aim to provide researches with a number of tools and services to power up their projects!

Quantitative Estimate of Druglikeness (QED) is an integrative score to evaluate compounds’ favorability to become a hit. We have selected 210,000 compounds with high QED score (over 0.9) from a Chemspace Screening set. You can download these in-stock high-QED compounds on the website. For make-on-demand high-QED set please contact us at info@chem-space.com Please visit https://goo.gl/k81yUZ for more information.

Bicyclo[1.1.1]pentane is one of the smallest bicycle bridge systems. In the last couple of years, one can find this core in numerous drug discovery and medchem projects. That fact could be easily explained because bicyclo[1.1.1]pentane derivatives are bioisosteric to para-substituted benzenes; the cycle itself is small, highly strained, and quite polar, which often allows to increase solubility and decrease the toxicity of bicyclo[1.1.1]pentane-containing analogs. In fact, we present here only 7 compounds but you can always run a substructure search on https://chem-space.com/search or ask our team to find you bicyclo[1.1.1]pentane -containing molecules.

Interesting fact: K. Wiberg and F. Walker used dibromo bicyclo[1.1.1]pentane precursor to synthesize [1.1.1]propellane in 1982. Find bicyclo[1.1.1]pentane derivatives for your projects on Chemspace.com

Winter holidays are coming. What holidays without presents? Starting from December 6, we offer a 10% discount on compounds sets (more than 100 compounds in an order). The offer is valid until December 31, 2018. 

This week, we present piperidine analogs and derivatives. Piperidine is among three rings frequently found in drugs and a popular fragment in medchem projects as the ring itself occurs in natural products, alkaloids, and bioactive compounds. This fact should not pass unnoticed if you are looking for a new molecule for your project. In fact, we present here only 7 compounds but you can always run a substructure search on https://chem-space.com/search or ask our team to find you piperidine-containing molecules.

Explore Chemspace – the largest source of small molecules to power-up your research!

Long time no see. Molecules of the week are back! Let the first post after a brake be brief.  So today, we present carboxylic acids with fluorine-containing 5-membered rings. Small new building blocks to tune up properties of your molecules...

In September 2018, FDA approved VIZIMPRO (dacomitinib) for lung cancer treatment. It contains very simple 3-chloro-4-fluoroaniline moiety in its backbone. This interesting fact could not pass unnoticed. 

In July 2018, FDA approved TIBSOVO (ivosidenib) as an acute myeloid leukemia drug. It contains acylated 3,3-difluorocyclobutan-1-amine moiety in its backbone. That is why we have prepared a set of fluorine containing cyclobutanamines and their nearest derivatives to power up your research: https://chem-space.com/list/hash/fade6b5199deebec8c66c1d923e3ef1c.

In May 2018, FDA approved LUCEMYRA (lofexidine hydrochloride) as a drug to treat opioid withdrawal symptoms. It contains 4,5-dihydro-1H-imidazole moiety in its backbone, which is quite uncommon for drugs (compared to, for example, imidazole or pyrimidin-2-amine moieties). This fact could not pass unnoticed. That is why we have prepared a set of 4,5-dihydro-1H-imidazoles and their nearest derivatives to power up your research.

In August 2018, FDA approved PIFELTRO (doravirine) as a HIV-1 infection drug. It contains 1,2,4-triazolone moiety in its backbone. This fact could not pass unnoticed. That is why we have prepared a set of 77 1,2,4-triazolones and their nearest derivatives to power up your research. Please visit www.chem-space.com to search in 100 million building blocks, fragments, and screening compounds.

KNIME Analytics Platform is a powerful open source tool for data mining. We have created the Chemspace nodes for KNIME that allow to search directly in Chemspace database (100 million compounds) without using your browser.

ChEMBL database has become an important reference tool containing an 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

Quantitative Estimate of Druglikeness (QED) is an integrative score to evaluate compounds’ favorability to become a hit. We have selected 210,000 compounds with high QED score (over 0.9) from a Chemspace Screening set. You can download these in-stock high-QED compounds on the website. For make-on-demand high-QED set please contact us at info@chem-space.com Please visit https://chem-space.com/compounds for more information.

A week ago we have moved to the new home page design. So now you can experience even more user-friendly tool-bar interface. Please visit http://www.chem-space.com to search in 100 million building blocks, fragments, and screening compounds.

Meet us at the 16th Annual Discovery on target! September 25-28th, Sheraton Boston, MA. Booth #303. Cheers! More details about the conference: https://lnkd.in/d7yFBB8

Please don't forget to stop by and chat with our team during the 256th ACS National Meeting & Expo in two weeks. Our booth is #1727. Have a great start of the week! Cheers!

At Chemspace, we struggle to provide our users with a number of tools and services to simplify the compound selection process. These include fast online similarity and substructure search, compound sets, and custom library preparation, - to name a few.

Framework-derived set is another approach to surf the Chemspace database. The set comprises over 6 million screening compounds that belong to one of 72,000 selected diverse Bemis-Murcko frameworks. At least 20 compounds share the same frameworks.