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· · COA & SDS available for every product · Same-day shipping on in-stock items RP-101075 - Moligand™ , Agonist of S1P 1 receptor;Agonist of S1P 5 receptor, CAS No.R613280, Agonist of S1P 1 receptor;Agonist of S1P 5 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
1306760-73-5 | HY-136576 | GTPL9889 | UNII-EK8WS2OJX0 | (S)-5-(3-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile | (S)-5-(3-(1-amino-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxy-benzonitrile | WGUXQKIWMY
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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
1306760-73-5 | HY-136576 | GTPL9889 | UNII-EK8WS2OJX0 | (S)-5-(3-(1-amino-2, 3-dihydro-1H-inden-4-yl)-1, 2, 4-oxadiazol-5-yl)-2-isopropoxybenzonitrile | (S)-5-(3-(1-amino-2, 3-dihydro-1H-inden-4-yl)-1, 2, 4-oxadiazol-5-yl)-2-isopropoxy-benzonitrile | WGUXQKIWMY
Specifications & Purity
Moligand™
Mechanism of action
Agonist of S1P 1 receptor;Agonist of S1P 5 receptor
Names and Identifiers Canonical Smiles N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N InChIKey WGUXQKIWMYYPQI-SFHVURJKSA-N INCHI 1S/C21H20N4O2/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-24-20(25-27-21)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9-10,12,18H,7-8,23H2,1-2H3/t18-/m0/s1 Isomeric SMILES CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)N)C#N PubChem CID 52938426
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 Azoles Subclass Oxadiazoles Intermediate Tree Nodes 1,2,4-oxadiazoles Direct Parent Phenyloxadiazoles Alternative Parents Indanes Phenoxy compounds Phenol ethers Benzonitriles Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenyl-1,2,4-oxadiazole - Indane - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. 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 360.400 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 360.159 Da Monoisotopic Mass 360.159 Da Topological Polar Surface Area 98.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 562.000 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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