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Chemical structure of STAT3-IN-25

GC73877

STAT3-IN-25

Also known as [1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone

STAT3-IN-25 (compound 2p) is a potent STAT3 inhibitor with a p-trifluoroethoxy benzyl substituent

ChemicalCAS2591440-75-2MW737.65FormulaC36H29F6N7O4
CAS number
2591440-75-2
Molecular weight
737.65
Formula
C36H29F6N7O4
Solubility
DMSO : 5 mg/mL (6·78 mM; ultrasonic and warming and heat to 60°C)
InChIKey
COKWXQBCDDVOQX-UHFFFAOYSA-N
Catalogue number
GC73877
Brand
GLPBIO
Computed properties PubChem CID 155591495 · XLogP 6.4 · TPSA 112 Ų · H-bond donors 0
XLogP
6.4
TPSA
112 Ų
H-bond donors
0
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
53

SMILES CN1C(=CC2=C1C=C(C=C2)OC3=NC=C(N=C3)C4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F)C(=O)N6CCN(CC6)CC7=CC=C(C=C7)OCC(F)(F)F

Computed descriptors from PubChem (CID 155591495), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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