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· · COA & SDS available for every product · Same-day shipping on in-stock items VER-246608 - Moligand™, ≥98% , CAS No.1684386-71-7
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. ≥98% Synonyms
N-[4-(2-Chloro-5-methyl-4-pyrimidinyl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide | N-[4-(2-Chloro-5-methylpyrimidin-4-yl)phenyl]-N-([4-[(2,2-difluoroacetamido)methyl]phenyl]methyl)-2,4-dihydroxybenzamide
Storage
Store at -20°C,Argon charged,Desiccated
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads 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
N-[4-(2-Chloro-5-methyl-4-pyrimidinyl)phenyl]-N-[[4-[[(2, 2-difluoroacetyl)amino]methyl]phenyl]methyl]-2, 4-dihydroxybenzamide | N-[4-(2-Chloro-5-methylpyrimidin-4-yl)phenyl]-N-([4-[(2, 2-difluoroacetamido)methyl]phenyl]methyl)-2, 4-dihydroxybenzamide
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
VER-246608 is a potent and ATP-competitive inhibitor of pyruvate dehydrogenase kinase ( PDK ) with IC 50 s of 35 nM, 40 nM, 84 nM, and 91 nM for PDK-1 , PDK-3 , PDK-2 , and PDK-4 , respectively.
Storage
Store at -20°C, Argon charged, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl IUPAC Name N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide InChIKey LCGNLQSOSJFLKR-UHFFFAOYSA-N INCHI 1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38) Isomeric SMILES CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl PubChem CID 86280454 MeSH Entry Terms VER-246608 Molecular Weight 552.96
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 Anilides Intermediate Tree Nodes Aromatic anilides Direct Parent Benzanilides Alternative Parents Phenylpyrimidines Salicylamides Benzamides Resorcinols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-halopyrimidines Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Alkyl fluorides Organochlorides Organofluorides Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzanilide - 4-phenylpyrimidine - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - 2-halopyrimidine - Halopyrimidine - Phenol - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. 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 Solubility DMSO : 100 mg/mL (180.84 mM; Need ultrasonic) Molecular Weight 553.000 g/mol XLogP3 5.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 8 Exact Mass 552.138 Da Monoisotopic Mass 552.138 Da Topological Polar Surface Area 116.000 Ų Heavy Atom Count 39 Formal Charge 0 Complexity 810.000 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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