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· · COA & SDS available for every product · Same-day shipping on in-stock items donitriptan - Moligand™ , G protein-coupled receptor 44 antagonist, CAS No.170912-52-4, G protein-coupled receptor 44 antagonist
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
BENZONITRILE,4-[4-[2-[[3-(2-AMINOETHYL)-1H-INDOL-5-YL]OXY]ACETYL]-1-PIPERAZINYL]- | HY-106157 | DONITRIPTAN [WHO-DD] | 1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine. | Donitriptan [INN] | L000746 | NCGC00370895-03 | Q19597008 | D
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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
BENZONITRILE, 4-[4-[2-[[3-(2-AMINOETHYL)-1H-INDOL-5-YL]OXY]ACETYL]-1-PIPERAZINYL]- | HY-106157 | DONITRIPTAN [WHO-DD] | 1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine. | Donitriptan [INN] | L000746 | NCGC00370895-03 | Q19597008 | D
Specifications & Purity
Moligand™
Mechanism of action
G protein-coupled receptor 44 antagonist
Product Properties Names and Identifiers Canonical Smiles C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN IUPAC Name 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile InChIKey SOHCKWZVTCTQBG-UHFFFAOYSA-N INCHI 1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2 Isomeric SMILES C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN Alternate CAS 170912-52-4 PubChem CID 197706 MeSH Entry Terms 4-(4-(2-(2-aminoethyl-1H-indol-5-yloxyl)acetyl)piperazinyl-1-yl)benzonitrile;donitriptan;F 11356;F 12640;F-12640;F11356;F12640 Molecular Weight 403.5
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 Tryptamines and derivatives N-arylpiperazines 3-alkylindoles 2-arylethylamines Aniline and substituted anilines Benzonitriles Dialkylarylamines Alkyl aryl ethers Aralkylamines Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Nitriles Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - Tryptamine - 3-alkylindole - Indole - Indole or derivatives - Benzonitrile - 2-arylethylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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 403.500 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 403.201 Da Monoisotopic Mass 403.201 Da Topological Polar Surface Area 98.400 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 618.000 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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