≥98%(HPLC) 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.
| Canonical Smiles | CCC1=NC(=C(N1)C)C=C2C3=C(C=CC(=C3)NC(=O)C#C)NC2=O |
|---|---|
| IUPAC Name | N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide |
| InChIKey | ORKOHXAJFGRZCL-LCYFTJDESA-N |
| INCHI | 1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)/b13-9- |
| Isomeric SMILES | CCC1=NC(=C(N1)C)/C=C\2/C3=C(C=CC(=C3)NC(=O)C#C)NC2=O |
| PubChem CID | 53262909 |
| Molecular Weight | 320.35 |
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 | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | N-arylamides 2,4,5-trisubstituted imidazoles Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - N-arylamide - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Acetylide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| 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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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 32.03, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 320.300 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 320.127 Da |
| Monoisotopic Mass | 320.127 Da |
| Topological Polar Surface Area | 86.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 605.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
