Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CNC(=O)c1ccc(cc1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2OCc1ccccn1)Cl)C |
|---|---|
| IUPAC Name | 4-[(E)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide |
| InChIKey | YFMDLMSUZMRKKH-SFQUDFHCSA-N |
| INCHI | 1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+ |
| Isómeros SMILES | CC1=CC(=C2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NC)Cl)OCC5=CC=CC=N5 |
| PubChem CID | 5311114 |
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 | N-acyl-alpha amino acids and derivatives |
| Alternative Parents | Alpha amino acid amides Cinnamic acid amides Quinolines and derivatives Anilides Benzamides Styrenes Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Methylpyridines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Cinnamic acid amide - Alpha-amino acid amide - Cinnamic acid or derivatives - Quinoline - Benzoic acid or derivatives - Benzamide - Anilide - 1,3-dichlorobenzene - Benzoyl - Phenol ether - Styrene - Alkyl aryl ether - Chlorobenzene - Methylpyridine - Halobenzene - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
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| Peso molecular | 698.600 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 697.186 Da |
| Monoisotopic Mass | 697.186 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1120.000 |
| 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 |
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