The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items R116031 - Moligand™ , Antagonist of NK 1 receptor, CAS No.R613061, Antagonist of NK 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
R 116031;R-116031
🧪
Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
R 116031;R-116031
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of NK 1 receptor
Names and Identifiers Canonical Smiles O=C(Nc1c(C)cccc1C)CN1CCN(CC1)[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F IUPAC Name 2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide InChIKey KHOXGPDKCIQOOR-XZWHSSHBSA-N INCHI 1S/C35H38F6N4O2/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46)/t29-,30+/m0/s1 Isomeric SMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)[C@H]3CCN([C@@H](C3)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F PubChem CID 9917716
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 Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent 1-benzoylpiperidines Alternative Parents N-benzoylpiperidines 2-benzylpiperidines Alpha amino acid amides Trifluoromethylbenzenes N-piperazineacetamides Anilides Benzamides m-Xylenes N-arylamides Aminopiperidines Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzoylpiperidine - 1-benzoylpiperidine - 2-benzylpiperidine - Benzylpiperidine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Trifluoromethylbenzene - N-piperazineacetamide - N-acyl-piperidine - Benzamide - Anilide - Benzoic acid or derivatives - M-xylene - Xylene - N-arylamide - 4-aminopiperidine - Aralkylamine - N-alkylpiperazine - Piperidine - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
