≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
NITD-349 is an inhibitor of MmpL3 that shows highly potent anti-mycobacterial activity with MIC50 of 23 nM against virulent Mycobacterium tuberculosis H37Rv.
| Pubchem Sid | 528766287 |
|---|---|
| Canonical Smiles | CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C |
| IUPAC Name | N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide |
| InChIKey | UATYSFRIVIHVKL-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C |
| Molecular Weight | 306.35 |
| Reaxy-Rn | 26477694 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26477694&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Substituted pyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2423809 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423810 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423811 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423812 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423813 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423817 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423820 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423823 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423826 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423841 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423852 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| B2423854 | Certificate of Analysis | Jan 12, 2024 | N412400 |
| Molecular Weight | 306.350 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 306.154 Da |
| Monoisotopic Mass | 306.154 Da |
| Topological Polar Surface Area | 44.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
