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· · COA & SDS available for every product · Same-day shipping on in-stock items 4H-1,2,4-Triazole, 3-(4-(3-(ethylsulfonyl)propyl)bicyclo(2.2.2)oct-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)- , 11-beta-hydroxysteroid dehydrogenase 1 inhibitor, CAS No.719272-79-4, 11-beta-hydroxysteroid dehydrogenase 1 inhibitor
Synonyms
MK-0736 | AKOS040748930 | 3-(4-(3-(Ethylsulfonyl)propyl)bicyclo(2.2.2)oct-1-yl-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole | 3-{4-[3-(Ethylsulfonyl)propyl]bicyclo[2.2.2]oct-1-yl}-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H -1,2,4-triazole | SCH
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Why this grade 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
MK-0736 | AKOS040748930 | 3-(4-(3-(Ethylsulfonyl)propyl)bicyclo(2.2.2)oct-1-yl-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1, 2, 4-triazole | 3-{4-[3-(Ethylsulfonyl)propyl]bicyclo[2.2.2]oct-1-yl}-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H -1, 2, 4-triazole | SCH
Mechanism of action
11-beta-hydroxysteroid dehydrogenase 1 inhibitor
Product Properties Names and Identifiers Canonical Smiles CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)F IUPAC Name 3-[4-(3-ethylsulfonylpropyl)-1-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole InChIKey ORQZQBUNAMJFCY-UHFFFAOYSA-N INCHI 1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3 Isomeric SMILES CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)F PubChem CID 22591684 Molecular Weight 469.6
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 Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,4-triazoles Alternative Parents Trifluoromethylbenzenes Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by 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 469.600 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 469.201 Da Monoisotopic Mass 469.201 Da Topological Polar Surface Area 73.200 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 743.000 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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