WAY-620496 - ≥98% , CAS No.191028-27-0

CAS: 191028-27-0 Cat. No.: W417685 Summenformel: C₁₆H₁₅N₃O₃ Molekulargewicht: 297.31 PubChem CID: 2095964

GRADE & PURITY ≥98%

Synonyms

N-1H-benzimidazol-2-yl-3,4-dimethoxy-Benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Androgen Receptor modulator; altering the lifespan of a eukaryotic organism;

Specifications

Synonyme

N-1H-benzimidazol-2-yl-3,4-dimethoxy-Benzamide

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: 2.639
• HBD-Zahl: 2
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 504760694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760694
• Kanonisches Lächeln: COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC
• IUPAC Name: N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzamide
• InChIKey: YGYSMNSKPCAZCU-UHFFFAOYSA-N
• INCHI: 1S/C16H15N3O3/c1-21-13-8-7-10(9-14(13)22-2)15(20)19-16-17-11-5-3-4-6-12(11)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
• Isomere SMILES: COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2)OC
• PubChem CID: 2095964
• Molekulargewicht: 297.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzimidazoles Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzimidazole - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Zugehörige Ziele (menschlich)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Discover Target: BRCA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: RAB9A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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microRNA 21 (64692 Activities)

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 297.310 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 297.111 Da
• Monoisotopic Mass: 297.111 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 393.000
• 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

Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 191028-27-0, the molecular formula is C16H15N3O3, and the molecular weight is 297.31 g/mol. InChIKey YGYSMNSKPCAZCU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.