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LpxH-IN-AZ1

CAT: 1410-M32998-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M32998-01Size:1 Each
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Description
LpxH-IN-AZ1 is a potent inhibitor of the UDP-2,3-diacylglucosamine pyrophosphate hydrolase, LpxH, and sulfonylpiperazine compounds.LpxH-IN-AZ1 exhibits antimicrobial activity and inhibits Klebsiella pneumoniae with an IC50 of 0.36 μM.
CAS Number
901260-40-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
453.48
Molecular Formula
C21H22F3N3O3S
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

LpxH-IN-AZ1
CAS Number901260-40-0
PubChem CID16002750
IUPAC Name1-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
Molecular FormulaC21H22F3N3O3S
Molecular Weight453.5
XLogP2.9
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity762
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H22F3N3O3S/c1-15(28)27-8-7-16-13-19(5-6-20(16)27)31(29,30)26-11-9-25(10-12-26)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3
InChIKey
JRTCXCIMCOKGMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LpxH-IN-AZ1
CAS: 901260-40-0
CID: 16002750
Formula: C21H22F3N3O3S
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass453.13339723
Monoisotopic Mass453.13339723
Topological Polar Surface Area69.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity762
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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