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Chemical structure of ML-298

GC44222

ML-298

Also known as 3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide

ML-298 is an inhibitor of phospholipase D2 (PLD2; IC50 = 355 nM)

ChemicalCAS1426916-02-0MW432.4FormulaC22H23F3N4O2
CAS number
1426916-02-0
Molecular weight
432.4
Formula
C22H23F3N4O2
Solubility
DMF： 10 mg/ml,DMSO： 20 mg/ml,Ethanol： 1 mg/ml
InChIKey
XAPVAKKLQGLNOY-UHFFFAOYSA-N
Catalogue number
GC44222
Brand
GLPBIO
Computed properties PubChem CID 53393916 · XLogP 2.9 · TPSA 64.7 Ų · H-bond donors 2
XLogP
2.9
TPSA
64.7 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

SMILES C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)C4=CC(=C(C=C4)F)F

Computed descriptors from PubChem (CID 53393916), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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