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MF 961

CAT: 0013-GTR19241487-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241487-01Size:25 mg
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Description
MF 961 is a quinolone-based antibacterial agent for research use. It demonstrates potent in vitro activity against common Enterobacteriaceae, including E. coli and Klebsiella species, with MIC50 values as low as 0.25 mg/L. This compound is suitable for studying bacterial resistance mechanisms and evaluating novel antibiotic scaffolds in microbiological assays.
CAS Number
138372-62-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C1=CN2C3=C (SCC2CF) C (=C (F) C=C3C1=O) N4CCN (C) CC4
Molecular Formula
C18H19F2N3O3S
Molecular Weight
395.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MF 961
CAS Number138372-62-0
PubChem CID124046
IUPAC Name7-fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.4
XLogP0.1
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity656
SMILES
CN1CCN(CC1)C2=C(C=C3C4=C2SCC(N4C=C(C3=O)C(=O)O)CF)F
InChI
InChI=1S/C18H19F2N3O3S/c1-21-2-4-22(5-3-21)15-13(20)6-11-14-17(15)27-9-10(7-19)23(14)8-12(16(11)24)18(25)26/h6,8,10H,2-5,7,9H2,1H3,(H,25,26)
InChIKey
YHMYZZSLDKKBQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MF 961
CAS: 138372-62-0
CID: 124046
Formula: C18H19F2N3O3S
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass395.11151897
Monoisotopic Mass395.11151897
Topological Polar Surface Area89.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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