WAY-381644 - 10mM in DMSO , CAS No.379713-58-3

CAS: 379713-58-3 Cat. No.: W423717 Fórmula: C21H17ClFN3O3S2 Peso molecular: 477.96 PubChem CID: 4294204
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
W423717-1ml
—
1 Em stock

143,09€

209,91€
Gravar 66,82 € (31.83%)
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Visão geral

phosphatidylcholine transfer protein inhibitors; altering the lifespan of eukaryotic organisms;

Specifications

Especificações e pureza
10mM in DMSO
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto
ALogP5.61
Contagem HBD3
Ligação rotativa7
Nomes e identificadores
Pubchem Sid528768084
Sorrisos canónicosCC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC=CC=C3Cl
IUPAC NameN-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]-4-fluorobenzamide
InChIKeyHQPUGRYKEOIIOE-UHFFFAOYSA-N
INCHI1S/C21H17ClFN3O3S2/c1-13-6-11-16(24-21(30)25-20(27)14-7-9-15(23)10-8-14)12-19(13)31(28,29)26-18-5-3-2-4-17(18)22/h2-12,26H,1H3,(H2,24,25,27,30)
SMILES isoméricas CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC=CC=C3Cl
PubChem CID 4294204
Peso molecular 477.96

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

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassN-phenylthioureas
Intermediate Tree Nodes Not available
Direct ParentN-acyl-phenylthioureas
Alternative Parents Sulfanilides  4-halobenzoic acids and derivatives  Benzenesulfonamides  Benzenesulfonyl compounds  Benzoyl derivatives  Toluenes  Fluorobenzenes  Chlorobenzenes  Organosulfonamides  Aryl chlorides  Aryl fluorides  Aminosulfonyl compounds  Thioureas  Carboxylic acids and derivatives  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Organonitrogen compounds  Organooxygen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-acyl-phenylthiourea - Benzenesulfonamide - Sulfanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl halide - Organosulfonic acid amide - Aryl chloride - Aryl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiourea - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





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HEK293 (82097 Activities)
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POLI Tchem DNA polymerase iota (116820 Activities)
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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LMNA Tbio Prelamin-A/C (36751 Activities)
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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
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GMNN Tbio Geminin (128009 Activities)
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microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
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Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mM) Solubilidade máxima10
Peso molecular478.000 g/mol
XLogP35.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass477.038 Da
Monoisotopic Mass477.038 Da
Topological Polar Surface Area128.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity741.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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