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Chemical structure of JNK-IN-11

GC71114

JNK-IN-11

Also known as methyl 3-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate

JNK-IN-11 (compound 1) is a potent JNK inhibitor with an IC50 value of 2·2, 21·4, 1·8 µM for JNK1, JNK2, JNK3, respectively

ChemicalCAS676594-38-0MW281.35FormulaC12H11NO3S2
CAS number
676594-38-0
Molecular weight
281.35
Formula
C12H11NO3S2
Solubility
DMSO ： 125 mg/mL (444·29 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
CXOCENPNQSXLGZ-UHFFFAOYSA-N
Catalogue number
GC71114
Brand
GLPBIO
Computed properties PubChem CID 2808202 · XLogP 2.8 · TPSA 112 Ų · H-bond donors 1
XLogP
2.8
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

SMILES COC(=O)C1=C(C=CS1)NC(=O)CC2=CC=CS2

Computed descriptors from PubChem (CID 2808202), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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