WAY-640426 - ≥98% , CAS No.851278-26-7

CAS: 851278-26-7 Cat. No.: W417844 Summenformel: C₁₄H₁₀N₂O₄S Molekulargewicht: 302.31 PubChem CID: 2486416

GRADE & PURITY ≥98%

Synonyms

HMS1730M20 | WAY-640426 | DTXSID301327682 | MLS001010765 | AKOS033961675 | 2-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole | Z26354677 | 2-(1,3-benzodioxol-5-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole | 2-(1,3-benzodioxol-5-y

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

inhibitors of Mycobacterium tuberculosis

Specifications

Synonyme

HMS1730M20 | WAY-640426 | DTXSID301327682 | MLS001010765 | AKOS033961675 | 2-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole | Z26354677 | 2-(1,3-benzodioxol-5-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole | 2-(1,3-benzodioxol-5-y

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.611
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 504760757
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760757
• Kanonisches Lächeln: C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)C4=CC=CS4
• IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
• InChIKey: OYWLLJQPZPCDEH-UHFFFAOYSA-N
• INCHI: 1S/C14H10N2O4S/c1-2-12(21-5-1)14-16-15-13(20-14)7-17-9-3-4-10-11(6-9)19-8-18-10/h1-6H,7-8H2
• Isomere SMILES: C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)C4=CC=CS4
• PubChem CID: 2486416
• Molekulargewicht: 302.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Alkyl aryl ethers Benzenoids Thiophenes Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Alkyl aryl ether - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Thiophene - Heteroaromatic compound - Ether - Azacycle - Oxacycle - Acetal - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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

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HEK293 (82097 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 302.310 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 302.036 Da
• Monoisotopic Mass: 302.036 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 362.000
• 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