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ML089

CAT: 1410-M35404-01Size: 1 EachDry Ice: NoHazardous: No
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Description
ML089 (CID-22416235) is an orally available and potent, selective inhibitor of phosphomannose isomerase (PMI), with potential inhibition of other PMI immediate homologs.ML089 is a membrane-permeable probe for the study of congenital dysglycosylation type Ia (CDG-Ia) .
CAS Number
1306638-12-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
245.27
Molecular Formula
C13H8FNOS
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

5-Fluoro-2-phenyl-1,2-benzothiazol-3-one

5-fluoro-2-phenyl-1,2-benzothiazol-3-one is a member of benzothiazoles.

CAS Number1306638-12-9
PubChem CID22416235
IUPAC Name5-fluoro-2-phenyl-1,2-benzothiazol-3-one
Molecular FormulaC13H8FNOS
Molecular Weight245.27
XLogP3.1
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=CC(=C3)F
InChI
InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
InChIKey
ZTQXZKHEMCRFEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CAS: 1306638-12-9
CID: 22416235
Formula: C13H8FNOS
MW: 245.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.27
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass245.03106321
Monoisotopic Mass245.03106321
Topological Polar Surface Area45.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
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

Alternative Products

CatalogName
MBS5803080ML089

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