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Chemical structure of HPK1-IN-8

GC63317

HPK1-IN-8

Also known as 2-(3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

HPK1-IN-8 is an allosteric, inactive conformation-selective inhibitor of full-length HPK1

ChemicalCAS1214561-09-7MW412.44FormulaC19H17FN6O2S
CAS number
1214561-09-7
Molecular weight
412.44
Formula
C19H17FN6O2S
InChIKey
DKCQZXASVNYNLW-UHFFFAOYSA-N
Catalogue number
GC63317
Brand
GLPBIO
Computed properties PubChem CID 46969799 · XLogP 1.7 · TPSA 127 Ų · H-bond donors 2
XLogP
1.7
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29

SMILES CC1=C(C(=O)N2C(=NNC2=N1)C)CC(=O)NC3=NC=C(S3)CC4=CC=CC=C4F

Computed descriptors from PubChem (CID 46969799), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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