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· · COA & SDS available for every product · Same-day shipping on in-stock items RS-102221 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor, CAS No.R613295, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor
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
N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide | BPBio1_000243 | N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesu
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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
N-[5-[5-(2, 4-Dioxo-1, 3, 8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2, 4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide | BPBio1_000243 | N-[5-[5-(2, 4-dioxo-1, 3, 8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2, 4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesu
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor
Names and Identifiers Canonical Smiles COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F IUPAC Name N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide InChIKey HZZZZODVDSHQRG-UHFFFAOYSA-N INCHI 1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37) Isomeric SMILES COC1=CC(=C(C=C1C(=O)CCCCN2CCC3(CC2)C(=O)NC(=O)N3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)OC PubChem CID 3693566
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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Trifluoromethylbenzenes Benzenesulfonamides Sulfanilides Azaspirodecane derivatives Dimethoxybenzenes Alpha amino acids and derivatives Benzenesulfonyl compounds Methoxyanilines 5-monosubstituted hydantoins Benzoyl derivatives Phenoxy compounds Aryl alkyl ketones Anisoles Alkyl aryl ethers N-acyl ureas Piperidines Organosulfonamides Aminosulfonyl compounds Dicarboximides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - Hydantoin - Butyrophenone - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonamide - Sulfanilide - Azaspirodecane - M-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Benzoyl - Phenol ether - Anisole - 5-monosubstituted hydantoin - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Ureide - N-acyl urea - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Imidazolidinone - Piperidine - Dicarboximide - Aminosulfonyl compound - Sulfonyl - Imidazolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Tertiary amine - Amino acid or derivatives - Carbonic acid derivative - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organofluoride - Alkyl halide - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 612.600 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 11 Exact Mass 612.187 Da Monoisotopic Mass 612.187 Da Topological Polar Surface Area 152.000 Ų Heavy Atom Count 42 Formal Charge 0 Complexity 1080.000 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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