DEL Chemical Verification Database

Total Compounds

Reaction Type Distribution by Experimenter

Entry	BB Serial	Well	CAS	Smiles	BB Mw	SM	TM	Validation conversion from LCMS (%)	Reaction type	LCMS Sample ID	Notebook No. and Page No.	Note	Experimenter	Library Name

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Library A

Library Information

Library Name: Library A Created: 2023-05-15 Last Updated: 2023-10-20 Status: Active Description: A general-purpose library for diverse chemical space exploration with a focus on drug-like molecules.

Library & BBs Validation Scheme

Building Blocks

BB1 Series: - Carboxylic acids (50 variants) - Amines (75 variants) - Halides (40 variants) BB2 Series: - Aldehydes (60 variants) - Ketones (45 variants) - Alcohols (55 variants) BB3 Series: - Isocyanates (30 variants) - Sulfonyl chlorides (25 variants) - Acid chlorides (35 variants)

Reaction Conditions

Step 1: Coupling Reaction - Solvent: DMF - Base: DIPEA (2 eq) - Catalyst: HATU (1.2 eq) - Temperature: RT, 12h - Workup: Precipitation with Et2O Step 2: Cyclization - Solvent: THF - Base: NaH (1.5 eq) - Temperature: 0°C to RT, 4h - Workup: Aqueous extraction General Notes: - All reactions performed under nitrogen atmosphere - Purity checked by LCMS before proceeding - Final compounds purified by prep-HPLC

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Chemical Structure