10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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
ER-000444793 ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening with IC50 of 2.8 μM.
Targets
mPTP (Cell-free assay) 2.8 μM
| Canonical Smiles | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43 |
|---|---|
| IUPAC Name | N-(2-benzylphenyl)-2-oxo-1H-quinoline-4-carboxamide |
| InChIKey | OIZPRRGJIHYZAY-UHFFFAOYSA-N |
| INCHI | 1S/C23H18N2O2/c26-22-15-19(18-11-5-7-13-21(18)24-22)23(27)25-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,26)(H,25,27) |
| Isomeric SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43 |
| Molecular Weight | 354.4 |
| Reaxy-Rn | 30379898 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30379898&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Quinoline carboxamides Diphenylmethanes Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Pyridinones Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Diphenylmethane - Quinoline-4-carboxamide - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid or derivatives - Pyridinone - Pyridine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 354.137 Da |
| Monoisotopic Mass | 354.137 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 579.000 |
| 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 |
