Amended PD 7_27-21.pdf

Version 11-30-2016-1 FAR Part 11—Describing Agency Needs

PURCHASE DESCRIPTION

1. Statement of Need and Purpose:

NCATS ETB is looking to expand its pre-clinical screening library of small molecules. Adding diversity to chemical libraries is imperative to our operation, as we screen a variety of targets against these in-house collections.

2. Background Information and Objective:

Screening is often the starting point in our development and a wealth of knowledge is obtained from screening a diverse collection. It provides the starting point of all information for medicinal chemistry’s structure-activity relationship (SAR) design to synthesize novel compounds that have more desirable properties. A diverse and novel screening collection provides the backbone of our operation and is imperative for translational sciences to obtain effective small molecules with on-target effects.

These small molecules have been designed around analysis of available chemical and biological information, identification of key pathways modules/targets, computational and “wet biology” assessment of target druggability and potential binding domains. The resulting information is analyzed by synthetic and medicinal chemistry teams to bring new chemical diversity and to design unique scaffolds that are likely to interact with the designated targets yielding focused compound libraries. Having such small molecules will make a huge impact in our screening against the variety of targets that NCATS works on and will also help tremendously in bioinformatics analysis which will allow a more thorough and effective SAR expansion by the medicinal chemist.

3. Generic Name of Product: Chemical Library.

4. Purchase Description:

Immediate Delivery Cat# Product name CAS# Qty

529107 Abacavir hydroxyacetate 1446418-48-9 1g

319666 Acorafloxacin 878592-87-1 1g

327001 Afabicin 1518800-35-5 1g

530656 AG-7404 343565-99-1 1g

461642 Amustaline 210584-54-6 1g

529412 AN-0128 872044-70-7 1g

573273 Arsthinol 119-96-0 1g

319709 Auriclosene 846056-87-9 1g

528415 AZD-5099 907543-25-3 1g

524348 AZD-5672 780750-65-4 1g

584462 Azidamfenicol 13838-08-9 1g

528502 Azvudine 1011529-10-4 1g

584131 BB-83698 325795-25-3 1g

526920 BIT-225 917909-71-8 1g

555297 BMS-955176 1392312-45-6 1g

524534 Brecanavir 313682-08-5 1g

319690 Brilacidin 1224095-98-0 1g

527408 BTA-9881 1646857-24-0 1g

412178 Bunamidine HCl 1055-55-6 1g

326632 Cadrofloxacin 153808-85-6 1g

328057 Capravirine 178979-85-6 1g

329204 Carfecillin 21649-57-0 1g

596758 Cefcanel daloxate 97275-40-6 1g

574462 Cefteram 82547-58-8 1g

319643 Dapaconazole 1269726-67-1 1g

581740 Decamethoxine 38146-42-8 1g

561108 Delgocitinib 1263774-59-9 1g

576915 Democonazole 70161-09-0 1g

328058 Dexelvucitabine 134379-77-4 1g

461450 Difetarsone 3639-19-8 1g

576917 Dimethyl carbate 39589-98-5 1g

528416 DS-8587 1356918-39-2 1g

464747 DUP721 104421-21-8 1g

326932 Emivirine 149950-60-7 1g

327007 enzaplatovir 1323077-89-9 1g

319746 Exeporfinium chloride 718638-68-7 1g

326999 Faldaprevir 801283-95-4 1g

461884 Glycovir 131262-82-3 1g

530260 Glymidine 3459-20-9 1g

464748 GS 0573 113852-41-8 1g

522992 GSK-945237 944406-54-6 1g

526868 HT-61 936622-80-9 1g

576764 Irloxacin 91524-15-1 1g

464750 KPI-10 888032-58-4 1g

464752 PD-159206 171744-42-6 1g

555163 PF-06835919 2102501-84-6 1g

584816 Pravibismane 175880-68-9 1g

414251 RWJ-54428 189448-35-9 1g

462046 Teclozan 5560-78-1 1g

529115 TMC-310911 1000287-05-7 1g

527512 UV-4b 615253-61-7 1g

414253 WIN54954 107355-45-3 1g

414255 ZEP-3 1026276-22-1 1g

205802 4SC-203 895533-09-2 1g

571354 Abecarnil 111841-85-1 1g

319754 Abediterol 915133-65-2 1g

571381 Ablukast 96566-25-5 1g

531380 ABT-384 868623-40-9 1g

205897 AC430 1361415-84-0 1g

571533 ACT-451840 1839508-99-4 1g

319692 Deleobuvir 863884-77-9 1g

524344 AZD-4818 1003566-93-5 1g

414172 Exeporfinium bromide 943326-71-4 1g

564872 Hetrombopag 1257792-41-8 1g

576394 HSD-016 946396-92-5 1g

461814 SARI-59-801 80565-58-8 1g

5. Salient characteristics:

• Small molecules must have validated biological and pharmacological activities.

• Must be available for high-throughput screening (HTS) and high-content screening

(HCS).

• Must come with detailed biological and chemical information with LC/MS and NMR reports to ensure high quality.

• Each small molecule must be guaranteed to have a purity of >95% (accuracy +/-5%) that is to be confirmed by NMR and/or LCMS spectra.

• In addition to the molecules themselves, the Contractor must be able to provide the following electronic information for each required molecule: chemical structure or simplified molecular-input line-entry system (SMILES) or equivalent chemical structure information, supplier ID, plate ID, well location, tube ID, concentration in millimolar, and volume in microliters. This information shall be provided via email referencing individual compound vial barcodes.

6. Quantity:

1g of each compound as shown in Purchase Description (4).

7. Delivery Date: One-time delivery to be made within 3-5 months after receipt of order.

8. Period of Performance: N/A

9. Option(s): N/A