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Anti-MRSA agent 27

CAT: 0931-T207164-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207164-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23750-73-4
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Anti-MRSA agent 27 (compound 4a) is a potent antimicrobial agent against methicillin-resistant Staphylococcus aureus (MRSA) with a minimum inhibitory concentration (MIC) of 0.0975 μmol/L. It effectively disrupts MRSA biofilms and inhibits the production of hemolysins.
Smiles
O=C(NC1=NC=2C=CC=CC2S1)NC3=CC=C(C=C3)C(F)(F)F
Molecular Formula
C15H10F3N3OS
Molecular Weight
337.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anti-MRSA agent 27
CAS Number23750-73-4
PubChem CID175678594
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
Molecular FormulaC15H10F3N3OS
Molecular Weight337.3
XLogP4.2
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity427
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3OS/c16-15(17,18)9-5-7-10(8-6-9)19-13(22)21-14-20-11-3-1-2-4-12(11)23-14/h1-8H,(H2,19,20,21,22)
InChIKey
MUDXNMBQUFEFLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-MRSA agent 27
CAS: 23750-73-4
CID: 175678594
Formula: C15H10F3N3OS
MW: 337.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.3
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass337.04966761
Monoisotopic Mass337.04966761
Topological Polar Surface Area82.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity427
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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