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· · COA & SDS available for every product · Same-day shipping on in-stock items TTP 22 - ≥98%(HPLC) , CAS No.329907-28-0
Synonyms
3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid | 7EY | SCHEMBL18005845 | SR-01000009670-1 | AC-35217 | MFCD02654497 | DTXSID50364205 | s6536 | SR-01000009670 | 3-[[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propanoic acid
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-[5-(4-methylphenyl)thieno[2, 3-d]pyrimidin-4-yl]sulfanylpropanoic acid | 7EY | SCHEMBL18005845 | SR-01000009670-1 | AC-35217 | MFCD02654497 | DTXSID50364205 | s6536 | SR-01000009670 | 3-[[5-(4-Methylphenyl)thieno[2, 3-d]pyrimidin-4-yl]thio]propanoic acid
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
High affinity, ATP-competitive casein kinase 2 (CK2) inhibitor (IC50= 0.1μM, Ki= 40 nM). Displays selectivity for CK2 over JNK3, ROCK1 and MET (no inhibitory effects at 10μM).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504760575 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504760575 Canonical Smiles CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(=O)O IUPAC Name 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid InChIKey RAOULLCLLOGTDA-UHFFFAOYSA-N INCHI 1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20) Isomeric SMILES CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(=O)O PubChem CID 1536915 Molecular Weight 330.42
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thienopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thienopyrimidines Alternative Parents Toluenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Thienopyrimidine - Aryl thioether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound Description 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility ≥ 16.5 mg/mL in DMSO, ≥ 7.85 mg/mL in EtOH with ultrasonic and warming Molecular Weight 330.400 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 330.05 Da Monoisotopic Mass 330.05 Da Topological Polar Surface Area 117.000 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 388.000 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
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