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.
p38 MAP Kinase inhibitor
| ALogP | 2.101 |
|---|---|
| hba_count | 4 |
| Contagem HBD | 1 |
| Ligação rotativa | 3 |
| Sorrisos canónicos | CC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)N1 |
|---|---|
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one |
| InChIKey | FOXUMRCUZSOQHZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H14N2O3S/c1-8-16-14(18)13-10(7-21-15(13)17-8)9-4-5-11(19-2)12(6-9)20-3/h4-7H,1-3H3,(H,16,17,18) |
| SMILES isoméricas | CC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)N1 |
| Peso molecular | 302.34826 |
| Reaxy-Rn | 19784379 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19784379&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Thienopyrimidines Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dimethoxybenzene - O-dimethoxybenzene - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 302.400 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.073 Da |
| Monoisotopic Mass | 302.073 Da |
| Topological Polar Surface Area | 88.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
