Name: WAY-394670 - 10mM in DMSO , CAS No.378786-16-4
SKU: W423705
Availability: InStock

WAY-394670 - 10mM in DMSO , CAS No.378786-16-4

CAS: 378786-16-4 Cat. No.: W423705 分子式: C₁₉H₁₄N₄OS 分子量: 346.40566 PubChem CID: 5161671

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

altering the lifespan of a eukaryotic organism; PPARs modulator; peroxisome proliferator activated receptors modulators;

Specifications

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP

3.59

HBD数

回転可能な結合

名前と識別子

パブケム・シド

528768102

カノニカル・スマイル

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC=NC=C4

IUPAC Name

1-phenyl-N-pyridin-4-yl-3-thiophen-2-ylpyrazole-4-carboxamide

InChIKey

XGALBLKRCKFSPZ-UHFFFAOYSA-N

INCHI

1S/C19H14N4OS/c24-19(21-14-8-10-20-11-9-14)16-13-23(15-5-2-1-3-6-15)22-18(16)17-7-4-12-25-17/h1-13H,(H,20,21,24)

異性体SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC=NC=C4

PubChem CID

5161671

分子量

346.40566

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Pyrazole-4-carboxamides Pyridines and derivatives Benzene and substituted derivatives Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Pyrazole-4-carboxamide - Monocyclic benzene moiety - Pyridine - Benzenoid - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
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

3 D構造

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レビュー

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DMSO（mM）最大溶解度	10
分子量	346.400 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	346.089 Da
Monoisotopic Mass	346.089 Da
Topological Polar Surface Area	88.100 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	451.000
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