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· · COA & SDS available for every product · Same-day shipping on in-stock items DSM265 - Moligand™ , Dihydroorotate dehydrogenase inhibitor, CAS No.D609989, Dihydroorotate dehydrogenase inhibitor
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
A17069 | SCHEMBL14053411 | UNII-0Q42P4YI6B | BCP17584 | HY-100184 | 1282041-94-4 | DB12397 | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-$l^{6}-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | SB17069 | 0Q42P4YI6B | 2-(1,1-DIFLUOROETHYL)-5-
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
A17069 | SCHEMBL14053411 | UNII-0Q42P4YI6B | BCP17584 | HY-100184 | 1282041-94-4 | DB12397 | 2-(1, 1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-$l^{6}-sulfanyl)phenyl]-[1, 2, 4]triazolo[1, 5-a]pyrimidin-7-amine | SB17069 | 0Q42P4YI6B | 2-(1, 1-DIFLUOROETHYL)-5-
Specifications & Purity
Moligand™
Mechanism of action
Dihydroorotate dehydrogenase inhibitor
Names and Identifiers Canonical Smiles Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C IUPAC Name 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6 -sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine InChIKey OIZSVTOIBNSVOS-UHFFFAOYSA-N INCHI 1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 Isomeric SMILES CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)S(F)(F)(F)(F)F)C(C)(F)F PubChem CID 51347395
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 Triazolopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Triazolopyrimidines Alternative Parents Aniline and substituted anilines Aminopyrimidines and derivatives Triazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organosulfur compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Triazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 415.330 g/mol XLogP3 6.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 3 Exact Mass 415.07 Da Monoisotopic Mass 415.07 Da Topological Polar Surface Area 56.100 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 566.000 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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