WAY-382420 - 10mM in DMSO , CAS No.301688-22-2

CAS: 301688-22-2 Cat. No.: W423113 Summenformel: C₁₁H₉N₃O₂S Molekulargewicht: 247.27 PubChem CID: 512191

GRADE & PURITY 10mM in DMSO

Synonyms

301688-22-2|3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4(3H)-one|Thieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-5-(2-furanyl)-2-methyl-|ST50052444|Oprea1_854122|DTXSID80333580|STK970929|AKOS001014156|WAY-382420|SR-01000005468|SR-01000005468-1|Z56837

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

antibacterial and antimycobacterial activity

Specifications

Synonyme

301688-22-2 | 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4(3H)-one | Thieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-5-(2-furanyl)-2-methyl- | ST50052444 | Oprea1_854122 | DTXSID80333580 | STK970929 | AKOS001014156 | WAY-382420 | SR-01000005468 | SR-01000005468-1 | Z56837

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

1.037

HBD-Zahl

1

Rotationsfähige Bindung

1

Namen und Kennungen

Kanonisches Lächeln

CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1N

IUPAC Name

3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one

InChIKey

SUHVYKWQQDDZRK-UHFFFAOYSA-N

INCHI

1S/C11H9N3O2S/c1-6-13-10-9(11(15)14(6)12)7(5-17-10)8-3-2-4-16-8/h2-5H,12H2,1H3

Isomere SMILES

CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1N

PubChem CID

512191

Molekulargewicht

247.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Pyrimidones Thiophenes Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Pyrimidone - Pyrimidine - Furan - Heteroaromatic compound - Thiophene - Lactam - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 247.280 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 247.042 Da
• Monoisotopic Mass: 247.042 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 374.000
• 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