ML348

CAT: 1568-C12011-10mM/1mLSize: 10 mm/ 1 mLDry Ice: NoHazardous: No

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CAT#:1568-C12011-10mM/1mLSize:10 mm/ 1 mL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

899713-86-1

Synonyms

GNF-Pf-1127

Target

Phospholipase (e.g. PLA)

Applications

Metabolism

Smiles

C1CN (CCN1CC (=O) NC2=C (C=CC (=C2) C (F) (F) F) Cl) C (=O) C3=CC=CO3

Molecular Formula

C18H17ClF3N3O3

Additionnal Information

ML348 (GNF-Pf-1127) is a potent and selective APT1 (Acyl protein thioesterase 1) /lysophospholipase 1 (LYPLA1) inhibitor with Ki values of 280 nM and >10 μM for APT1 and APT2, respectively.

Storage Conditions

3 years -20°C powder

Chemical Information

ML348

CAS Number	899713-86-1
PubChem CID	3238952
IUPAC Name	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Molecular Formula	C18H17ClF3N3O3
Molecular Weight	415.8
XLogP	3
Topological Polar Surface Area	65.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	570

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

CAS: 899713-86-1

CID: 3238952

Formula: C18H17ClF3N3O3

MW: 415.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	415.8
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	415.0910536
Monoisotopic Mass	415.0910536
Topological Polar Surface Area	65.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	570
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS579573	ML348
A16338-50	ML348 50mg
A16338-10	ML348 10mg
A16338-2	ML348 2mg
A16338-5	ML348 5mg
A16338-500	ML348 500mg
A16338-200	ML348 200mg
A16338-100	ML348 100mg
A16338-25	ML348 25mg
MBS131516	ML348 (ML-348; ML 348)

ML348

Chemical Information

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