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· · COA & SDS available for every product · Same-day shipping on in-stock items AC-260584 - Moligand™ , Allosteric modulator of M 1 receptor, CAS No.560083-42-3, Allosteric modulator of M 1 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
2H-1,4-Benzoxazin-3(4H)-one, 4-(3-(4-butyl-1-piperidinyl)propyl)-7-fluoro- | UNII-M4PN46N313 | MS-25378 | 4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one | M4PN46N313 | SCHEMBL4069821 | BDBM50382122 | HY-100336 | 4-[3-(4-butylpiperidin-1
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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
2H-1, 4-Benzoxazin-3(4H)-one, 4-(3-(4-butyl-1-piperidinyl)propyl)-7-fluoro- | UNII-M4PN46N313 | MS-25378 | 4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1, 4-benzoxazin-3-one | M4PN46N313 | SCHEMBL4069821 | BDBM50382122 | HY-100336 | 4-[3-(4-butylpiperidin-1
Specifications & Purity
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of M 1 receptor
Names and Identifiers Canonical Smiles CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F IUPAC Name 4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one InChIKey BWAKMLKESHKOHK-UHFFFAOYSA-N INCHI 1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3 Isomeric SMILES CCCCC1CCN(CC1)CCCN2C(=O)COC3=C2C=CC(=C3)F PubChem CID 9928284
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 Benzoxazines Subclass Benzoxazinones Intermediate Tree Nodes Not available Direct Parent Benzoxazinones Alternative Parents Benzomorpholines Alkyl aryl ethers Piperidines Benzenoids Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Aryl fluoride - Aryl halide - Oxazinane - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone 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 348.500 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 348.221 Da Monoisotopic Mass 348.221 Da Topological Polar Surface Area 32.800 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 426.000 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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