News and Events
12 November 2018
Piperidine analogs and derivatives
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!
29 October 2018
Carboxylic acids with fluorine-containing 5-membered rings
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...
19 October 2018
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.
3 October 2018
Fluorine containing cyclobutanamines
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.
2 October 2018
LUCEMYRA (lofexidine hydrochloride)
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.
20 September 2018
1,2,4-triazolones and their nearest derivatives
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.
14 September 2018
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.
6 September 2018
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
3 September 2018
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 email@example.com Please visit https://chem-space.com/compounds for more information.
3 September 2018
New home page design
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.
28 August 2018
Meet us at the 16th Annual Discovery on target
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
2 August 2018
Meet us at the 256th ACS National Meeting & Expo
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!
24 July 2018
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.
4 May 2018
Aryl stannanes have been widely utilized in Stille coupling that is similar to Suzuki coupling. The interest in these tin-organic compounds is because of their large variety and higher stability...
12 April 2018
A pair of sunglasses is what most of us need every day. Looking at chemical structures, one can imagine sunglasses as a two ring system. This week we present molecules with two four-member rings: azetidine and cyclobutane...
6 March 2018
Acquisition for Compound Screening Libraries
Chemspace is delighted to exhibit at Innovation in Design and acquisition for Compound Screening Libraries Conference (May 15 - 16, Benjamin Franklin Institute of Technology, Boston, MA, United States), organized by SCI’s Fine Chemicals Group.
20 February 2018
Sulfonyl Chlorides. Part 3
To choose molecules of this week, we searched for those with simultaneously present three key features: the smallest cycle, cyclopropyl ring; the smallest substituent, fluorine; and our favorite functional group, sulfonyl chloride...
13 February 2018
Events Calendar 2018
The updated list of Chemspace events.
29 January 2018
Nonclassical phenyl ring bioisosteres
Shape… What can one say about shape? Every little thing got it or at least looks like something else. Shape is extremely important as it influences the chemical properties...
22 January 2018
Another small group for drug discovery.
When medicinal chemists design a lead they want to decorate it with small functionalities, for example, oxetane or sulfoximine. This time we pay...
15 January 2018
Sulfonyl Chlorides. Part 2
When a movie becomes successful producers often start thinking about creating a sequel or even a saga… As for sulfonyl chlorides, you should be thinking about a multi season TV show that tells about the sulfonyl chlorides and their nearest analogues...
25 December 2017
Sulfonyl Chlorides. Part 1
It is an interesting fact that the well-known class of sulfonyl chlorides is still one of the most wanted Building Blocks for many researchers. Is it because of a highly reactive sulfonyl chloride moiety that reacts with anything you want and can rapidly produce the corresponding sulfonic acids, sulfonic esters, or sulfonamides?...
22 December 2017
Merry Christmas and a Happy New Year!
The Chemspace Team sincerely wishes Merry Christmas and a Happy New Year to all our customers, suppliers, and partners!
18 December 2017
Very Unusual Amino Acids
When somebody, especially not a chemist, talks about amino acids they typically mean the food additives what bodybuilders use for growing their muscles. But our, chemists, view is absolutely different and under amino acids we see molecules that cannot be bought in a drugstore. Our amino acids help pump the main “muscle” of any researcher - the brain!...
11 December 2017
The molecules of this week are definitely recognized as morpholines! Not just morpholine derivatives, but rather constrained analogues with a geometric construction in the cycle. Why did we select them as "molecules of the week"? It is simple: morpholine is one of the most popular fragments in medicinal chemistry and is among TOP 30 most frequently used ring systems for small molecule drugs....