WAY-298350 - ≥98% , CAS No.304888-67-3

CAS: 304888-67-3 Cat. No.: W418042 Formula: C₁₇H₁₇NO₃ Molecular Weight: 283.32 PubChem CID: 2788377

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

inhibitors of A kinase anchor protein/protein kinase A interaction

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

ALogP

3.359

HBD Count

1

Rotatable Bond

2

Names and Identifiers

Pubchem Sid

488193974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193974

Canonical Smiles

CC1=CC(=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)C

IUPAC Name

N-(3,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

InChIKey

ZZKGGJRFZHQPMD-UHFFFAOYSA-N

INCHI

1S/C17H17NO3/c1-11-7-12(2)9-13(8-11)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)C

PubChem CID

2788377

Molecular Weight

283.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Anilides m-Xylenes N-arylamides Alkyl aryl ethers Para dioxins Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Anilide - M-xylene - Xylene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 283.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 283.121 Da
• Monoisotopic Mass: 283.121 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 363.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1