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· · COA & SDS available for every product · Same-day shipping on in-stock items PNU109291 - Moligand™ , Agonist of 5-HT 1D receptor, CAS No.187665-60-7, Agonist of 5-HT 1D 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
(-)-PNU-109291 | (S)-1-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)ethyl)-N-methylisochromane-6-carboxamide | NCGC00378655-01 | PNU-109,291 | 1H-2-BENZOPYRAN-6-CARBOXAMIDE, 3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-, (1S)- | HY-103132
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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
(-)-PNU-109291 | (S)-1-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)ethyl)-N-methylisochromane-6-carboxamide | NCGC00378655-01 | PNU-109, 291 | 1H-2-BENZOPYRAN-6-CARBOXAMIDE, 3, 4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-, (1S)- | HY-103132
Specifications & Purity
Moligand™
Mechanism of action
Agonist of 5-HT 1D receptor
Names and Identifiers Canonical Smiles CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC IUPAC Name (1S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide InChIKey UDLSEQDYARNKTL-QHCPKHFHSA-N INCHI 1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1 Isomeric SMILES CNC(=O)C1=CC2=C(C=C1)[C@@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC PubChem CID 9909448 Molecular Weight 409.52
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 Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines 2-benzopyrans Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines N-alkylpiperazines Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - 2-benzopyran - Isochromane - Benzopyran - Methoxyaniline - Aminophenyl ether - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to 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 409.500 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 409.237 Da Monoisotopic Mass 409.237 Da Topological Polar Surface Area 54.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 544.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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