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· · COA & SDS available for every product · Same-day shipping on in-stock items RORC2 inverse agonist 66 - Moligand™ , Agonist of RAR-related orphan receptor-γ, CAS No.R613273, Agonist of RAR-related orphan receptor-γ
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
example 5 [WO2016046755A1]
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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
example 5 [WO2016046755A1]
Specifications & Purity
Moligand™
Mechanism of action
Agonist of RAR-related orphan receptor-γ
Names and Identifiers Canonical Smiles N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C)C IUPAC Name 3-cyano-N-[1-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide InChIKey BIHPJIJLDNUDGH-UHFFFAOYSA-N INCHI 1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35) Isomeric SMILES CC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C PubChem CID 118977746
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 Pyrrolopyridines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrrolopyridines Alternative Parents N-acylpiperidines Benzamides Benzoyl derivatives Benzonitriles Pyridines and derivatives N-methylpyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrrolopyridine - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Benzoyl - Benzonitrile - Benzenoid - Substituted pyrrole - Pyridine - Piperidine - N-methylpyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 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 497.500 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 4 Exact Mass 497.204 Da Monoisotopic Mass 497.204 Da Topological Polar Surface Area 91.000 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 863.000 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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