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.
Sialoadhesin ligand; PDE9 inhibitor;
| ALogP | 2.722 |
|---|---|
| Contagem HBD | 1 |
| Ligação rotativa | 3 |
| Pubchem Sid | 528768415 |
|---|---|
| Sorrisos canónicos | CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)O |
| IUPAC Name | 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid |
| InChIKey | DMVRIOBFXVERIW-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N2O3S/c1-8-11-13(18)16-10(7-9-5-3-2-4-6-9)17-14(11)21-12(8)15(19)20/h2-6H,7H2,1H3,(H,19,20)(H,16,17,18) |
| SMILES isoméricas | CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)O |
| PubChem CID | 7063836 |
| Peso molecular | 300.33 |
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 |
| Classe | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Thiophene carboxylic acids Pyrimidones Benzene and substituted derivatives Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 I2405007 | Certificate of Analysis | Jul 04, 2026 | W423906 |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 300.300 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.057 Da |
| Monoisotopic Mass | 300.057 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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 |
