SD-219286 - 10mM in DMSO , CAS No.58590-31-1

CAS: 58590-31-1 Cat. No.: S424905 분자식: C₁₇H₁₅N₃O₄S₂ 분자량: 389.45 EC 번호: 165-248-5 PubChem CID: 978972

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

inhibitor of voltage-gated sodium channels; inhibitor of voltage-gated sodium channels;

Specifications

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

1.934

HBD 수

2

회전 가능한 결합

7

이름과 식별자

정식 스마일

C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

IUPAC Name

2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

InChIKey

NZLZHGMARVZMOL-UHFFFAOYSA-N

INCHI

1S/C17H15N3O4S2/c21-16(12-24-14-4-2-1-3-5-14)19-13-6-8-15(9-7-13)26(22,23)20-17-18-10-11-25-17/h1-11H,12H2,(H,18,20)(H,19,21)

이성체 SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

PubChem CID

978972

분자량

389.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Anilides Benzenesulfonyl compounds N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Organosulfonic acid amide - Azole - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiazole - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 389.500 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 389.05 Da
• Monoisotopic Mass: 389.05 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 553.000
• 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