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Chemical structure of MLS0315771

GC31369

MLS0315771

Also known as 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one

MLS0315771 is a potent and biologically active competitive phosphomannose isomerase (MPI) inhibitor, with an IC50 ~1 μM and a Ki of 1·4 μM

ChemicalCAS727664-91-7MW273.33FormulaC15H12FNOS
CAS number
727664-91-7
Molecular weight
273.33
Formula
C15H12FNOS
Solubility
DMSO : 100 mg/mL (365·86 mM; Need ultrasonic)
InChIKey
GRGDWLDSVPJEJU-UHFFFAOYSA-N
Catalogue number
GC31369
Brand
GLPBIO
Computed properties PubChem CID 1510389 · XLogP 3.8 · TPSA 45.6 Ų · H-bond donors 0
XLogP
3.8
TPSA
45.6 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19

SMILES CC1=CC(=C(C=C1)C)N2C(=O)C3=C(S2)C=C(C=C3)F

Computed descriptors from PubChem (CID 1510389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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