≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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 | CC1CN(CC(N1)C)C2=C(C=C3CCN(C3=C2)C(=O)C4=CC=C(C=C4)C5=C(C=C(C=C5)C6=NOC(=N6)C)C)OC.Cl |
|---|---|
| IUPAC Name | [6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone;hydrochloride |
| InChIKey | VPWVEPYFVFBHQR-XKFLBXONSA-N |
| INCHI | 1S/C32H35N5O3.ClH/c1-19-14-26(31-34-22(4)40-35-31)10-11-27(19)23-6-8-24(9-7-23)32(38)37-13-12-25-15-30(39-5)29(16-28(25)37)36-17-20(2)33-21(3)18-36;/h6-11,14-16,20-21,33H,12-13,17-18H2,1-5H3;1H/t20-,21+; |
| Isómeros SMILES | C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3CCN(C3=C2)C(=O)C4=CC=C(C=C4)C5=C(C=C(C=C5)C6=NOC(=N6)C)C)OC.Cl |
| PubChem CID | 11685613 |
| Términos de entrada MeSH | 1-(6-(cis-3,5-dimethylpiperazin-1-yl)-2,3-dihydro-5-methoxyindol-1-yl)-1-(2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methanone hydrochloride;SB-616234-A |
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 |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Biphenyls and derivatives N-arylpiperazines Phenyloxadiazoles Benzamides Methoxyanilines Dialkylarylamines Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Oxacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Biphenyl - Indolecarboxylic acid derivative - N-arylpiperazine - Phenyl-1,2,4-oxadiazole - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Anisole - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Oxadiazole - Azole - 1,2,4-oxadiazole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary aliphatic amine - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Secondary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
| Peso molecular | 574.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 573.251 Da |
| Monoisotopic Mass | 573.251 Da |
| Topological Polar Surface Area | 83.700 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 857.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
![[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone;hydrochloride - ≥98% CAS No(908601-49-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/R/1/R1232897.jpg)