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· · COA & SDS available for every product · Same-day shipping on in-stock items BMS 181,101 - Moligand™ , Agonist of 5-HT 1B receptor, CAS No.141071-67-2, Agonist of 5-HT 1B 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
5-Fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indole | BMS181101 | BMS-181101 | 5-Fluoro-3-(3-(4-(5-methoxy-pyrimidin-4-yl)-piperazin-1-yl)-propyl)-1H-indole | 1H-Indole, 5-fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propy
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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
5-Fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indole | BMS181101 | BMS-181101 | 5-Fluoro-3-(3-(4-(5-methoxy-pyrimidin-4-yl)-piperazin-1-yl)-propyl)-1H-indole | 1H-Indole, 5-fluoro-3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propy
Specifications & Purity
Moligand™
Mechanism of action
Agonist of 5-HT 1B receptor
Names and Identifiers Canonical Smiles COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(F)cc2 IUPAC Name 5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole InChIKey NRLXAYBZNVHRFL-UHFFFAOYSA-N INCHI 1S/C20H24FN5O/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18/h4-5,11-14,23H,2-3,6-10H2,1H3 Isomeric SMILES COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)F PubChem CID 177836
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 Indoles and derivatives Subclass Tryptamines and derivatives Intermediate Tree Nodes Not available Direct Parent Tryptamines and derivatives Alternative Parents N-arylpiperazines 3-alkylindoles Dialkylarylamines N-alkylpiperazines Aralkylamines Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles Imidolactams Benzenoids Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Triptan - 3-alkylindole - Indole - Dialkylarylamine - Aralkylamine - N-alkylpiperazine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Piperazine - 1,4-diazinane - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 369.400 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 369.196 Da Monoisotopic Mass 369.196 Da Topological Polar Surface Area 57.300 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 462.000 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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