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Chemical structure of Pantothenate Kinase Inhibitor

GC47870

Pantothenate Kinase Inhibitor

Also known as 3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methylsulfanylphenyl)propanamide

A reversible inhibitor of pantothenate kinase

ChemicalCAS902614-04-4MW391.5FormulaC21H21N5OS
CAS number
902614-04-4
Molecular weight
391.5
Formula
C21H21N5OS
Solubility
DMF: 1 mg/ml,DMSO: 1 mg/ml,DMSO:PBS (pH 7·2) (1:4): 0·25 mg/ml
InChIKey
UNCZUEUPSJKHGB-UHFFFAOYSA-N
Catalogue number
GC47870
Brand
GLPBIO
Computed properties PubChem CID 20867564 · XLogP 3.3 · TPSA 97.5 Ų · H-bond donors 1
XLogP
3.3
TPSA
97.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

SMILES CC1=C(C(=NC2=C3C=CC=NC3=NN12)C)CCC(=O)NC4=CC(=CC=C4)SC

Computed descriptors from PubChem (CID 20867564), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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