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· · COA & SDS available for every product · Same-day shipping on in-stock items Home By Target/Pathway/Disease By Disease (DOID) Genetic diseases monogenic disease (DOID:0050177) 1-ethyl-3-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]urea - Moligand™ , Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2;Inhibitor of testis associated actin remodelling kinase 1;Inhibitor of testi, Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2;Inhibitor of testis associated actin remodelling kinase 1;Inhibitor of testis associated actin remodelling kinase 2 1-ethyl-3-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]urea - Moligand™ , Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2;Inhibitor of testis associated actin remodelling kinase 1;Inhibitor of testi, Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2;Inhibitor of testis associated actin remodelling kinase 1;Inhibitor of testis associated actin remodelling kinase 2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2;Inhibitor of testis associated actin remodelling kinase 1;Inhibitor of testis associated actin remodelling kinase 2
Names and Identifiers Canonical Smiles CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC InChIKey WUCYRTXFXRZKSV-UHFFFAOYSA-N INCHI 1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31) Isomeric SMILES CCNC(=O)NC1=NC=C(S1)C2=CC(=NC(=N2)C3=NC=CN=C3)C4=C(C=C(C=C4C)OC)C PubChem CID 46192505
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 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents m-Xylenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2,5-disubstituted thiazoles Pyrazines Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 4-phenylpyrimidine - Phenoxy compound - Anisole - M-xylene - Xylene - Phenol ether - Methoxybenzene - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Urea - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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 Molecular Weight 461.500 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 461.163 Da Monoisotopic Mass 461.163 Da Topological Polar Surface Area 143.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 632.000 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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