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· · COA & SDS available for every product · Same-day shipping on in-stock items CGP 20712A - Moligand™ , Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor, CAS No.137888-49-4, Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor
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. Synonyms
SDCCGSBI-0050352.P002 | (+/-)-2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-benzamide | NCGC00024944-04 | NCGC00024944-08 | UNII-SIO2UEZ19H | Lopac0_000364 | CGP20712A | CGP-20712A | PDSP1_0008
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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 Synonyms
SDCCGSBI-0050352.P002 | (+/-)-2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-benzamide | NCGC00024944-04 | NCGC00024944-08 | UNII-SIO2UEZ19H | Lopac0_000364 | CGP20712A | CGP-20712A | PDSP1_0008
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of β 1-adrenoceptor;Antagonist of β 3-adrenoceptor
Names and Identifiers Canonical Smiles CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F IUPAC Name 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide InChIKey GKJZEKSHCJELPL-UHFFFAOYSA-N INCHI 1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33) Isomeric SMILES CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F Alternate CAS 137888-49-4,81015-67-0 PubChem CID 2685 MeSH Entry Terms 1-(2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino)-3-(4-(1-methyl-4-trifluoromethyl-2-imidazoylyl)phenoxy)-2-propanol methanesulfonate;2-hydroxy-5-(2-(hydroxy-3-(4-((1-methyl-4-trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)aminoethoxy)benzamide;CGP 20712
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 Azoles Subclass Imidazoles Intermediate Tree Nodes Substituted imidazoles Direct Parent Phenylimidazoles Alternative Parents Salicylamides Benzamides 4-alkoxyphenols Benzoyl derivatives 1,2,4-trisubstituted imidazoles Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Primary carboxylic acid amides Dialkylamines Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 2-phenylimidazole - Salicylamide - Salicylic acid or derivatives - 4-alkoxyphenol - Benzamide - Benzoic acid or derivatives - 1,2,4-trisubstituted-imidazole - Phenoxy compound - Benzoyl - Phenol ether - Trisubstituted imidazole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Vinylogous acid - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organofluoride - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. 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 494.500 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 11 Exact Mass 494.178 Da Monoisotopic Mass 494.178 Da Topological Polar Surface Area 132.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 666.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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