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.
Casein kinase 1δ inhibitors
| ALogP | 3.517 |
|---|---|
| Rotatable Bond | 3 |
| Canonical Smiles | CN1C(=NN=N1)SC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 4-(1-methyltetrazol-5-yl)sulfanyl-2-phenylquinazoline |
| InChIKey | YHKDIBFNRGORNO-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N6S/c1-22-16(19-20-21-22)23-15-12-9-5-6-10-13(12)17-14(18-15)11-7-3-2-4-8-11/h2-10H,1H3 |
| Isomeric SMILES | CN1C(=NN=N1)SC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 |
| PubChem CID | 2566978 |
| Molecular Weight | 320.37168 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Quinazolines Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Tetrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - Diazanaphthalene - Quinazoline - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Tetrazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| 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 | 320.400 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 320.084 Da |
| Monoisotopic Mass | 320.084 Da |
| Topological Polar Surface Area | 94.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 391.000 |
| 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 |
