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| IUPAC Name: | 1-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone |
| Description: | LpxH-IN-AZ1 is a sulfonyl piperazine compound that is a potent inhibitor of UDP-2,3-diacylglucosamine pyrophosphate hydrolase LpxH and Klebsiella pneumoniae LpxH (IC50 = 0.36 μM). |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21H22F3N3O3S |
| Canonical 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 |
| InChI Key: | JRTCXCIMCOKGMN-UHFFFAOYSA-N |
| Boiling Point: | 659.1±65.0°C (Predicted) |
| Purity: | ≥95% |
| Density: | 1.395±0.06 g/cm3 (Predicted) |
| Solubility: | Soluble in DMSO |
| Storage: | Store at -20°C under inert atmosphere |
| LogP: | 4.27400 |
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