Products for Research Use Only
RegisterLogin

NITD-916

CAT: 1410-M12349-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M12349-01Size:1 mL x 10 mM in DMSO
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NITD-916 is a novel, direct inhibitor of the mycobacterial enoyl-reductase InhA with IC50 of 0.57 uM.
CAS Number
1614262-83-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
311.425
Molecular Formula
C20H25NO2
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

6-((4,4-dimethylcyclohexyl)methyl)-4-hydroxy-3-phenylpyridin-2(1H)-one

has antitubercular activity; structure in first source

CAS Number1614262-83-7
PubChem CID86580375
IUPAC Name6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
Molecular FormulaC20H25NO2
Molecular Weight311.4
XLogP4.9
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity514
SMILES
CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
InChIKey
WKDRRKVUJLNFSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-((4,4-dimethylcyclohexyl)methyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
CAS: 1614262-83-7
CID: 86580375
Formula: C20H25NO2
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass311.188529040
Monoisotopic Mass311.188529040
Topological Polar Surface Area49.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity514
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

Related Products

CatalogName
M23369-01NITD-2
M12348NITD-564
M23370-01VCH-916
M12025-01NITD-304
M12026-01NITD-349
M36047-01NITD-609 Enantiomer
M24958-01VCH-916 free acid (1200133-34-1 free base)
M10172AZD 9164

Alternative Products

CatalogName
MBS3602349-01NITD-916
TRC-N201711-50MGNITD-916-D5
GTR19156378-01NITD-2
BA1616-1NITD-688
BA1289-100NITD-349
T71235-01NITD-203
T33683-01NITD-304

Popular Products