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Chemical structure of TIM-3-IN-2

GC73552

TIM-3-IN-2

Also known as N-(2,4-dimethoxyphenyl)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

TIM-3-IN-2 (Compound A-41) is a Tim3 inhibitor (KD: 0·61 μM)

ChemicalCAS1113126-49-0MW461.47FormulaC25H23N3O6
CAS number
1113126-49-0
Molecular weight
461.47
Formula
C25H23N3O6
Solubility
DMSO : 100 mg/mL (216·70 mM; Need ultrasonic)
InChIKey
CHBOMMCWIAPXIS-UHFFFAOYSA-N
Catalogue number
GC73552
Brand
GLPBIO
Computed properties PubChem CID 46266591 · XLogP 4.3 · TPSA 105 Ų · H-bond donors 1
XLogP
4.3
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

SMILES COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)OCC(=O)NC4=C(C=C(C=C4)OC)OC

Computed descriptors from PubChem (CID 46266591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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