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Chemical structure of FABPs ligand 6

GC65322

FABPs ligand 6

Also known as 4-[4-fluoro-2-[5-phenyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]phenoxy]butanoic acid

FABPs ligand 6 (MF6) is an FABP5 and FABP7 inhibitor with KD values of 874 nM and 20 nM, respectively

ChemicalCAS2988135-14-2MW458.52FormulaC28H27FN2O3
CAS number
2988135-14-2
Molecular weight
458.52
Formula
C28H27FN2O3
Solubility
DMSO : 250 mg/mL (545·23 mM; Need ultrasonic)
InChIKey
WPFTWURGWRECHZ-UHFFFAOYSA-N
Catalogue number
GC65322
Brand
GLPBIO
Computed properties PubChem CID 164887467 · XLogP 6.3 · TPSA 64.4 Ų · H-bond donors 1
XLogP
6.3
TPSA
64.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34

SMILES CC(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=C(C=CC(=C3)F)OCCCC(=O)O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 164887467), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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