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Anti-MRSA agent 24

CAT: 0931-T205615-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205615-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2379890-92-1
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Anti-MRSA agent 24 (compound 6K) is an antibacterial compound that targets methicillin-resistant Staphylococcus aureus (MRSA), demonstrating significant inhibitory effects on strains resistant to penicillin.
Smiles
O=C1C=2C=C(F)C=C(F)C2NC(NC3=CC=C(F)C(F)=C3F)=C1C(=O)C(C)C
Molecular Formula
C19H13F5N2O2
Molecular Weight
396.311
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,8-difluoro-3-(2-methylpropanoyl)-2-(2,3,4-trifluoroanilino)-1H-quinolin-4-one
CAS Number2379890-92-1
PubChem CID147388287
IUPAC Name6,8-difluoro-3-(2-methylpropanoyl)-2-(2,3,4-trifluoroanilino)-1H-quinolin-4-one
Molecular FormulaC19H13F5N2O2
Molecular Weight396.3
XLogP5.3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity671
SMILES
CC(C)C(=O)C1=C(NC2=C(C1=O)C=C(C=C2F)F)NC3=C(C(=C(C=C3)F)F)F
InChI
InChI=1S/C19H13F5N2O2/c1-7(2)17(27)13-18(28)9-5-8(20)6-11(22)16(9)26-19(13)25-12-4-3-10(21)14(23)15(12)24/h3-7H,1-2H3,(H2,25,26,28)
InChIKey
DMIXYWAIQQRKNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,8-difluoro-3-(2-methylpropanoyl)-2-(2,3,4-trifluoroanilino)-1H-quinolin-4-one
CAS: 2379890-92-1
CID: 147388287
Formula: C19H13F5N2O2
MW: 396.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.3
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass396.08971847
Monoisotopic Mass396.08971847
Topological Polar Surface Area58.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity671
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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