Enamine Ltd.

Molecule of the week EN300-52233639 More details: https://bit.ly/3AZWelV #Enamine #molecule #chemistry #science #drugdiscovery

Check out the recent paper: “4-Azaspiro[2.3]hexane, an Overlooked Piperidine Isostere: Multigram Synthesis and Physicochemical and Structural Evaluation,” co-authored by Sergiy Galavskyy, Anton Chernykh, Oleksandr Liashuk, Lesyk Dmytro, Svetlana V.Shishkina, Denys Kliukovskyi, Dmytro Volochnyuk, Serhiy Ryabukhin, and Oleksandr Grygorenko. This study presents an efficient method for synthesizing 4-azaspiro[2.3]hexane derivatives, including the innovative use of the deuterated Petasis reagent Cp?Ti(CD?)? in building block preparation. The developed protocols enabled multigram-scale production (up to 52 g) of the target compounds. To illustrate the potential of the obtained derivatives in drug discovery, physicochemical evaluations (pKa, Log P) and structural analyses, including X-ray diffraction and exit vector plot (EVP) analysis, were performed. Read more: https://lnkd.in/grZP5v4V

4?Azaspiro[2.3]hexane, an Overlooked Piperidine Isostere! Being a versatile scaffold itself, the piperidine ring can be further modified to create diverse potential pharmacophores with specified physicochemical parameters such as rigidification, which is often achieved through the introduction of fused, bridged, or spirocyclic fragments. In recent work, Enamine scientists propose 4-azaspiro[2.3]hexane as a promising piperidine isostere for wide applications in medicinal chemistry (https://lnkd.in/grZP5v4V).?? Physicochemical and structural characterization of 4-azaspiro[2.3]hexane derivatives showed that introducing the spirocyclic system decreased the compound’s basicity and increased lipophilicity compared to parent piperidine. Check this and other azaspiro compounds at Enaminestore ?? https://lnkd.in/gCAk6a9v Anton Chernykh Oleksandr Liashuk Lesyk Dmytro Svetlana V.Shishkina Dmytro Volochnyuk Serhiy Ryabukhin Oleksandr Grygorenko

Please welcome Serhii Shuvakin (Серг?й Шувак?н) - the chemist behind the molecule of this week. Congratulations!???? https://bit.ly/4943vO6 #Enamine #molecule #chemistry #science #drugdiscovery

We are excited to share the latest performance results for our Fast MADE Building Blocks! The performance data collected over the past six months for 550 ordered compounds confirms that synthesis deadlines are met to complete orders on time. The Fast MADE catalog contains 96 million molecules, designed for ultra-fast synthesis within 7 to 10 days. This is achieved through 1-3 commonly utilized procedures with an 80% success rate. We remain committed to improving this product by expanding the Fast MADE catalog and optimizing synthesis protocols while maintaining the same rapid turnaround time. Learn more: https://lnkd.in/dB_3HcHM?

Less than 2 Weeks Left to Test infiniSee xREAL! This revolutionary new platform allows you to screen Enamine's xREAL Space with over 2.4?trillion(!) molecules, without the need for external servers or supercomputers. Enjoy full access to its features during our promotion event running until November 30, 2024, plus a?10% discount on ordered compounds. More details:?https://bit.ly/40320NL

Incorporating anionic residues into peptides enhances polarity and facilitates charge-based interactions with target proteins. These residues also improve the water solubility of peptide materials and, in some cases, enhance drug delivery. The standard set of anionic amino acids includes aspartate and glutamate.?Unnatural anionic?residues can further restrict the conformational landscape, strengthen interactions, and reduce metabolic degradation. Enamine offers a collection of anionic amino acids with a range of diverse substituents, including aliphatic, aromatic, and innovative cyclic scaffold-based molecules: https://bit.ly/3UQrJoZ Try our anionic amino acids in your research!

??Exciting surprises are coming your way this December!?? Subscribe to our newsletter for exclusive access to the Enamine Digital Advent Calendar, packed with festive treats and special offers. *The link will be shared exclusively via our newsletter. Don’t miss out - subscribe now: https://bit.ly/3ZbwBb9

Molecule of the week EN300-373718 More details: https://bit.ly/3YSD0ql #Enamine #molecule #chemistry #science #drugdiscovery

We are pleased to announce an update of our fragment library collection: Carboxylic Acid Bioisostere Fragment Library. Designed in collaboration with the leading Medicinal Chemists from ICR, University of London, this pre-plated library aims to be an easily accessible tool for medicinal chemists looking for fast-checking carboxylic acid (CA) alternatives. Key features include: - Covers all reliable CAB replacements with predicted pKa 1 – 14. - Experimentally confirmed solubility in PBS buffer at 1 mM, in DMSO at 100 mM - High diversity within each bioisosteric type - No reactive or unstable compounds, pains free - Analogs from stock and REAL Space available for each fragment We hope this library will be a powerful tool to speed up successful CA isosteric replacement and contribute to the FBDD community. Explore the library to accelerate your research project: https://bit.ly/3YQaUfi