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.
Lipoxygenase Inhibitor
| ALogP | 3.989 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 6 |
| Canonical Smiles | C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3 |
|---|---|
| IUPAC Name | N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide |
| InChIKey | YPPJLQGRWPRHHY-UHFFFAOYSA-N |
| INCHI | 1S/C20H18N4OS/c25-19(21-13-12-15-6-2-1-3-7-15)14-26-20-23-22-18-11-10-16-8-4-5-9-17(16)24(18)20/h1-11H,12-14H2,(H,21,25) |
| Isomeric SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3 |
| PubChem CID | 1304061 |
| Molecular Weight | 362.45 |
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 | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Triazolopyridines Alkylarylthioethers Pyridines and derivatives Benzene and substituted derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Triazolopyridine - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 362.400 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 362.12 Da |
| Monoisotopic Mass | 362.12 Da |
| Topological Polar Surface Area | 84.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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 |
