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NITD-564

CAT: 1410-M12348Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12348Size:1 Each
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Description
NITD-564 is a novel, direct inhibitor of the mycobacterial enoyl-reductase InhA with IC50 of 0.59 uM, exhibits MIC50 of 160 nM against Mtb.
CAS Number
1614262-75-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
283.371
Molecular Formula
C18H21NO2
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

6-(Cyclohexylmethyl)-4-Hydroxy-3-Phenylpyridin-2(1h)-One
CAS Number1614262-75-7
PubChem CID76284487
IUPAC Name6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
Molecular FormulaC18H21NO2
Molecular Weight283.4
XLogP4.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity452
SMILES
C1CCC(CC1)CC2=CC(=C(C(=O)N2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21)
InChIKey
UVVRYOIOMHFQGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Cyclohexylmethyl)-4-Hydroxy-3-Phenylpyridin-2(1h)-One
CAS: 1614262-75-7
CID: 76284487
Formula: C18H21NO2
MW: 283.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass283.157228913
Monoisotopic Mass283.157228913
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity452
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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