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· · COA & SDS available for every product · Same-day shipping on in-stock items CID1792197 - Moligand™ , Agonist of GPR55, CAS No.1164479-69-9, Agonist of GPR55
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
Agonist of GPR55
Names and Identifiers Canonical Smiles COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C IUPAC Name 3-(2-methoxyphenyl)-N-[[4-(methyl-phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide InChIKey XOMQERYBMDFBAG-SFQUDFHCSA-N INCHI 1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)/b17-12+ Isomeric SMILES CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3OC PubChem CID 1792197
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 Benzenoids Class Benzene and substituted derivatives Subclass N-phenylthioureas Intermediate Tree Nodes Not available Direct Parent N-acyl-phenylthioureas Alternative Parents Coumaric acids and derivatives Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Anisoles Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents N-acyl-phenylthiourea - Cinnamic acid or derivatives - Coumaric acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxybenzene - Anisole - Styrene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiourea - Carboxylic acid derivative - Ether - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated. 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 481.600 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 7 Exact Mass 481.113 Da Monoisotopic Mass 481.113 Da Topological Polar Surface Area 128.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 782.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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