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· · COA & SDS available for every product · Same-day shipping on in-stock items SCH 57790 - Moligand™ , Antagonist of M 2 receptor, CAS No.S613494, Antagonist of M 2 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
SCH-57790;SCH57790
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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
SCH-57790;SCH57790
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of M 2 receptor
Names and Identifiers Canonical Smiles COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N IUPAC Name 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile InChIKey BFELQLHLUNQIHL-UHFFFAOYSA-N INCHI 1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3 Isomeric SMILES COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4 PubChem CID 9867750
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 Phenyl sulfoxides Intermediate Tree Nodes Not available Direct Parent Phenyl sulfoxides Alternative Parents Phenoxy compounds Methoxybenzenes Anisoles N-alkylpiperazines Cyclohexylamines Aralkylamines Alkyl aryl ethers Trialkylamines Sulfoxides Alpha-aminonitriles Sulfinyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl sulfoxide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Cyclohexylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Alpha-aminonitrile - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 437.600 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 437.214 Da Monoisotopic Mass 437.214 Da Topological Polar Surface Area 75.800 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 620.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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