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ML348

CAT: 1410-M17649-01Size: 1 EachDry Ice: NoHazardous: No
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Description
ML348 is a selective and reversible lysophospholipase 1 (LYPLA1) inhibitor (IC50 = 210 nM) .
CAS Number
899713-86-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
415.79
Molecular Formula
C18H17ClF3N3O3
Notes
Research use only, not for human use.
Receptor
LYPLA1

Chemical Information

ML348
CAS Number899713-86-1
PubChem CID3238952
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Molecular FormulaC18H17ClF3N3O3
Molecular Weight415.8
XLogP3
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)C3=CC=CO3
InChI
InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKey
OXKNHBBDOIMFFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML348
CAS: 899713-86-1
CID: 3238952
Formula: C18H17ClF3N3O3
MW: 415.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass415.0910536
Monoisotopic Mass415.0910536
Topological Polar Surface Area65.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M21729-01ML349
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Alternative Products

CatalogName
MBS579573ML348
A16338-50ML348 50mg
A16338-10ML348 10mg
A16338-2ML348 2mg
A16338-5ML348 5mg
A16338-500ML348 500mg
A16338-200ML348 200mg
A16338-100ML348 100mg
A16338-25ML348 25mg
MBS131516ML348 (ML-348; ML 348)

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