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MUT-056399

CAT: 1410-M11129-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M11129-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel, highly potent inhibitor of the FabI enzyme of both Staphylococcus aureus and Escherichia coli.
CAS Number
1269055-85-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
293.2654
Molecular Formula
C15H13F2NO3
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Fab-001

a FabI inhibitor with antibacterial activity; structure in first source

CAS Number1269055-85-7
PubChem CID44208849
IUPAC Name4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide
Molecular FormulaC15H13F2NO3
Molecular Weight293.26
XLogP3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity369
SMILES
CCC1=CC(=C(C=C1F)OC2=C(C=C(C=C2)C(=O)N)F)O
InChI
InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
InChIKey
QUHARGDBJJUOEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fab-001
CAS: 1269055-85-7
CID: 44208849
Formula: C15H13F2NO3
MW: 293.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.26
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass293.08634960
Monoisotopic Mass293.08634960
Topological Polar Surface Area72.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity369
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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