85 Purchased merged compounds from REAL-Enamine

[HadiaAmahli]

Several scientists from UCL team (Hadia Almahli) and DLS team (Jasmin Aschenbrenner and Daren Fearron) carried out multiple curations for the various sets of merged compounds (1500 compounds) propose by Fragmenstein, these curations led to shortlist 85 merged compounds to purchase from REAL-Enamine Pure and crude, here are their structures:

Jasmin Aschenbrenner and Daren Fearon (XChem) will be evaluating their binding using high-throughput structural biology while Wenjie Chen (UCL) will perform grating-coupled interferometry (GCI) to rapidly inform the design-make-test cycle for developing effective alphavirus inhibitors.

[HadiaAmahli]

On 20th June, our protein scientist: Wenjie Chen @Wenjie-Ch has received 85 crude compounds and 79 similar compounds (pure), Enamine failed to purify/ 5 compounds. See here: D10-3775639_ML10272188_PURIFIED.XLSX Re_ Compounds registration (1).zip

[Wenjie-Ch]

Hi Hadia, 84x crudes were shipped from Diamond on 19 May 2024, and 79x purified compounds were shipped from Diamond on 19th June 2024. The merged compound structures picture isn't quite clear when zoomed in, do you @HadiaAmahli have a better quality picture so each chemical structure becomes clearly visible?

[HadiaAmahli]

@Wenjie-Ch: yes that's correct, we suppose to receive 85 crudes showed attached, it seems there is one crude that failed to make, thank you for confirming. Regarding the structures, unfortunately, this is the best picture that I managed to make due to the big number of structures.

@Wenjie-Ch Can you please confirm the total number of ASAP toolbox compounds that you received, the file attached showing 11 compounds.

20240515 ASAP toolbox compounds.xlsx

[Wenjie-Ch]

Yes 11, same shipment as the 84x crudes

[jasminaschenbrenner]

ASAP-0008445 and ASAP-0014722 contain the same compounds, except that 8445 is a diastereomeric mixture but 14722 is a single enantiomer, not sure why they've sent both.