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Chemical structure of FABP-IN-2

GC26368

FABP-IN-2

Also known as 4-[2-[1-(2-chlorophenyl)-5-phenylpyrazol-3-yl]phenoxy]butanoic acid

FABP-IN-2 is a novel FABP3 ligand· The IC50 values of FABP-IN-2 inhibiting FABP3/FABP4 were 1·16, respectively μ M and 4·27 μ M

ChemicalCAS1426533-99-4MW432.9FormulaC25H21ClN2O3
CAS number
1426533-99-4
Molecular weight
432.9
Formula
C25H21ClN2O3
Solubility
DMSO ： 100 mg/mL (231·00 mM; Need ultrasonic)
InChIKey
DLWPLLKZMMWLHC-UHFFFAOYSA-N
Catalogue number
GC26368
Brand
GLPBIO
Computed properties PubChem CID 71567507 · XLogP 5.7 · TPSA 64.4 Ų · H-bond donors 1
XLogP
5.7
TPSA
64.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
31

SMILES C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4OCCCC(=O)O

Computed descriptors from PubChem (CID 71567507), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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