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· · COA & SDS available for every product · Same-day shipping on in-stock items WAY-300062 - 10mM in DMSO , CAS No.330990-68-6
GRADE & PURITY 10mM in DMSO
Synonyms
330990-68-6|7-allyl-8-(benzylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione|Oprea1_053803|Oprea1_589374|MLS001205069|CHEMBL1304875|DTXSID401320439|HMS2823K18|7-Allyl-8-benzylsulfanyl-3-methyl-3,7-dihydro-
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs 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.
Overview Mycobacterium tuberculosis shikimate kinase inhibitors
Specifications Synonyms
330990-68-6 | 7-allyl-8-(benzylthio)-3-methyl-1H-purine-2, 6(3H, 7H)-dione | 8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2, 6-dione | Oprea1_053803 | Oprea1_589374 | MLS001205069 | CHEMBL1304875 | DTXSID401320439 | HMS2823K18 | 7-Allyl-8-benzylsulfanyl-3-methyl-3, 7-dihydro-
Specifications & Purity
10mM in DMSO
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 2.977 HBD Count 1 Rotatable Bond 5
Names and Identifiers Canonical Smiles CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C IUPAC Name 8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione InChIKey JVDFMDMDVXFQIR-UHFFFAOYSA-N INCHI 1S/C16H16N4O2S/c1-3-9-20-12-13(19(2)15(22)18-14(12)21)17-16(20)23-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,21,22) Isomeric SMILES CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C PubChem CID 823118 Molecular Weight 328.38884
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 Imidazopyrimidines Subclass Purines and purine derivatives Intermediate Tree Nodes Not available Direct Parent Xanthines Alternative Parents 6-oxopurines Alkaloids and derivatives Alkylarylthioethers Pyrimidones Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. 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 DMSO(mM) Max Solubility 10 Molecular Weight 328.400 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 328.099 Da Monoisotopic Mass 328.099 Da Topological Polar Surface Area 92.500 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 481.000 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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