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Chemical structure of STAT3-IN-20

GC73605

STAT3-IN-20

Also known as N-[1-cyclopropyl-2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)benzimidazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

STAT3-IN-20 (Compound 40) is a selective STAT3 inhibitor (IC50: 0·65 μM)

ChemicalCAS2768427-54-7MW593.64FormulaC30H27F4N7S
CAS number
2768427-54-7
Molecular weight
593.64
Formula
C30H27F4N7S
Solubility
DMSO ： 100 mg/mL (168·45 mM; ultrasonic and warming and heat to 80°C)
InChIKey
OOARMSSXPHSBDL-UHFFFAOYSA-N
Catalogue number
GC73605
Brand
GLPBIO
Computed properties PubChem CID 168510606 · XLogP 6.5 · TPSA 90.4 Ų · H-bond donors 1
XLogP
6.5
TPSA
90.4 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
42

SMILES CN1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)C4=CC=C(C=C4)F)C5CC5)NC6=NN=C(S6)C7=CC=C(C=C7)C(F)(F)F

Computed descriptors from PubChem (CID 168510606), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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