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PK150

CAT: 0931-T7897-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T7897-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2165324-62-7
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9954
Bioactivity
PK150 shows oral bioavailability and antibacterial activity against several pathogenic strains at submicromolar concentrations.
Smiles
FC(F)(F)c1cc(NC(=O)Nc2ccc3OC(F)(F)Oc3c2)ccc1Cl
Molecular Formula
C15H8ClF5N2O3
Molecular Weight
394.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)urea
CAS Number2165324-62-7
PubChem CID132190620
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
Molecular FormulaC15H8ClF5N2O3
Molecular Weight394.68
XLogP4.6
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity536
SMILES
C1=CC2=C(C=C1NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)OC(O2)(F)F
InChI
InChI=1S/C15H8ClF5N2O3/c16-10-3-1-7(5-9(10)14(17,18)19)22-13(24)23-8-2-4-11-12(6-8)26-15(20,21)25-11/h1-6H,(H2,22,23,24)
InChIKey
SHPYXCLUNMOJOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)urea
CAS: 2165324-62-7
CID: 132190620
Formula: C15H8ClF5N2O3
MW: 394.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.68
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass394.0143606
Monoisotopic Mass394.0143606
Topological Polar Surface Area59.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity536
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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