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Chemical structure of ML318

GC62000

ML318

Also known as 2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile

ML318 is a biaryl nitrile inhibitor of PvdQ acylase with an IC50 of 20 nM by binding in the acyl-binding site

ChemicalCAS1610516-67-0MW280.22FormulaC14H8F4N2
CAS number
1610516-67-0
Molecular weight
280.22
Formula
C14H8F4N2
Solubility
DMSO : 100 mg/mL (356·86 mM)
InChIKey
DXQNDKQUHKVTTC-UHFFFAOYSA-N
Catalogue number
GC62000
Brand
GLPBIO
Computed properties PubChem CID 56604881 · XLogP 3.3 · TPSA 36.7 Ų · H-bond donors 0
XLogP
3.3
TPSA
36.7 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

SMILES C1=CC(=NC(=C1)C(F)(F)F)C(C#N)C2=CC=C(C=C2)F

Computed descriptors from PubChem (CID 56604881), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.