≥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.
| Sonrisas canónicas | CC1=C(C(=NO1)C)CN2C=C(C3=C2C=CC(=C3)OC4=CC=C(C=C4)NC(=O)C5CCCN5)C#N |
|---|---|
| IUPAC Name | (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide |
| InChIKey | NDIKFKQBWGMLCA-DEOSSOPVSA-N |
| INCHI | 1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1 |
| Isómeros SMILES | CC1=C(C(=NO1)C)CN2C=C(C3=C2C=CC(=C3)OC4=CC=C(C=C4)NC(=O)[C@@H]5CCCN5)C#N |
| Peso molecular | 455.51 |
| Reaxy-Rn | 38558701 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38558701&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 | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Proline and derivatives |
| Alternative Parents | Alpha amino acid amides Diarylethers N-alkylindoles Anilides Indoles Phenoxy compounds Phenol ethers Pyrrolidinecarboxamides N-arylamides Substituted pyrroles Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkylamines Nitriles Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Proline or derivatives - Alpha-amino acid amide - Diaryl ether - N-alkylindole - Indole - Indole or derivatives - Anilide - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Pyrrolidine - Azole - Isoxazole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 45.55, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 45.55, Max Conc. mM: 100 |
|---|---|
| Peso molecular | 455.500 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 455.196 Da |
| Monoisotopic Mass | 455.196 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 763.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
