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NITD-349

CAT: 0013-GTR19176559-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176559-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NITD-349
CAS Number
1473450-62-2
Product Name Alternative
Bacterial, Inhibitor, inhibit, MmpL3, NITD 349, NITD349, NITD-349
Field of Research
Infectious Disease & Virology
Purity
99.63% (May vary between batches)
Solubility
DMSO:310 mg/mL (1011.91 mM)
Smiles
CC1 (C) CCC (CC1) NC (=O) c1cc2c (F) cc (F) cc2[nH]1
Molecular Formula
C17H20F2N2O
Molecular Weight
306.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
CAS Number1473450-62-2
PubChem CID72711190
IUPAC NameN-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
Molecular FormulaC17H20F2N2O
Molecular Weight306.35
XLogP4.3
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity419
SMILES
CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C
InChI
InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
InChIKey
UATYSFRIVIHVKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide
CAS: 1473450-62-2
CID: 72711190
Formula: C17H20F2N2O
MW: 306.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.35
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass306.15436959
Monoisotopic Mass306.15436959
Topological Polar Surface Area44.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity419
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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