Determine the necessary mass, volume, or concentration for preparing a solution.
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.
IKKb inhibitors
| ALogP | 3.413 |
|---|---|
| Rotatable Bond | 1 |
| Pubchem Sid | 528768094 |
|---|---|
| Canonical Smiles | CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)Cl |
| IUPAC Name | 4-chloro-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine |
| InChIKey | ZUAGGEDCVROTRG-UHFFFAOYSA-N |
| INCHI | 1S/C11H7ClN2S2/c1-6-13-10(12)9-7(5-16-11(9)14-6)8-3-2-4-15-8/h2-5H,1H3 |
| Isomeric SMILES | CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)Cl |
| PubChem CID | 2446573 |
| Molecular Weight | 266.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Bi- and oligothiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bi- and oligothiophenes |
| Alternative Parents | Thienopyrimidines Halopyrimidines Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bithiophene - Thienopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Thiophene - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. |
| External Descriptors | Not available |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 266.800 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 265.974 Da |
| Monoisotopic Mass | 265.974 Da |
| Topological Polar Surface Area | 82.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |