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Chemical structure of iHCK-37

GC63606

iHCK-37

Also known as N-(2-morpholin-4-ylphenyl)-2-[[2-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

iHCK-37 (ASN05260065) is a potent and specific Hck inhibitor with a Ki value of 0·22 μM

ChemicalCAS516478-09-4MW544.73FormulaC30H32N4O2S2
CAS number
516478-09-4
Molecular weight
544.73
Formula
C30H32N4O2S2
Solubility
DMSO : 275 mg/mL (504·84 mM; Need ultrasonic)
InChIKey
YBVMBFMOYYGDEM-UHFFFAOYSA-N
Catalogue number
GC63606
Brand
GLPBIO
Computed properties PubChem CID 3197505 · XLogP 6.5 · TPSA 121 Ų · H-bond donors 1
XLogP
6.5
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38

SMILES C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NC4=CC=CC=C4N5CCOCC5)CCC6=CC=CC=C6

Computed descriptors from PubChem (CID 3197505), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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