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Chemical structure of Hck-IN-1

GC39570

Hck-IN-1

Also known as 4-[(3-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide

Hck-IN-1 (compound B9), a diphenylpyrazolo compound, is a selective Nef-dependent Hck inhibitor with IC50s of 2·8 μM, >20 μM for Nef:Hck complex and Hck, respectively

ChemicalCAS1473404-51-1MW402.81FormulaC16H11ClN6O3S
CAS number
1473404-51-1
Molecular weight
402.81
Formula
C16H11ClN6O3S
Solubility
DMSO： 12·5 mg/mL (31·03 mM)
InChIKey
LEQSBTDRMOZWRP-UHFFFAOYSA-N
Catalogue number
GC39570
Brand
GLPBIO
Computed properties PubChem CID 4553981 · XLogP 4.4 · TPSA 161 Ų · H-bond donors 2
XLogP
4.4
TPSA
161 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
27

SMILES C1=CC(=CC(=C1)Cl)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Computed descriptors from PubChem (CID 4553981), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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