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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items WAY-320426 - 10mM in DMSO , CAS No.312601-47-1
GRADE & PURITY 10mM in DMSO
Synonyms
312601-47-1|3-Chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)benzamide|3-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide|3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide|MLS001224194|CHEMBL1409153|DTXSID901321713|HMS289
Shipped In
Dry ice packs + Cold packs
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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.
Descripción general Mycobacterium tuberculosis shikimate kinase inhibitors
Specifications Sinónimos
312601-47-1 | 3-Chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)benzamide | 3-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]benzamide | 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide | MLS001224194 | CHEMBL1409153 | DTXSID901321713 | HMS289
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Propiedades del producto Nombres e identificadores Sonrisas canónicas
CC1=CC(=NN1C(=O)CNC(=O)C2=CC(=CC=C2)Cl)C
IUPAC Name
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
InChIKey
ZHNZROFLIBUAAU-UHFFFAOYSA-N
INCHI
1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
Isómeros SMILES
CC1=CC(=NN1C(=O)CNC(=O)C2=CC(=CC=C2)Cl)C
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 Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Benzamides Direct Parent Hippuric acids and derivatives Alternative Parents Alpha amino acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Hippuric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas DMSO (mM) Solubilidad máxima 10 Peso molecular 291.730 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 291.077 Da Monoisotopic Mass 291.077 Da Topological Polar Surface Area 64.000 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 377.000 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
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