WAY-604595 - 10mM in DMSO , CAS No.325996-24-5

CAS: 325996-24-5 Cat. No.: W423324 Fórmula: C16H16N4O4S Peso molecular: 360.39 PubChem CID: 979543
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemania (EU)
USA*
Price
Qty
1ml
W423324-1ml
Fabricado bajo pedido · 8–12 semanas

178,67€

209,91€
Guardar 31,24 € (14.88%)
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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.

Descripción general

antibronchoconstrictive activity/anti-bacterial activity

Specifications

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
ALogP
2.017
Recuento HBD
1
Enlace rotable
5
Nombres e identificadores
Sonrisas canónicas
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)OC
IUPAC Name
8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
InChIKey
AITPQUGTTQPTRB-UHFFFAOYSA-N
INCHI
1S/C16H16N4O4S/c1-19-13-12(14(22)20(2)16(19)23)17-15(18-13)25-8-11(21)9-4-6-10(24-3)7-5-9/h4-7H,8H2,1-3H3,(H,17,18)
Isómeros SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)OC
PubChem CID
979543
Peso molecular
360.39

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
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Xanthines  6-oxopurines  Alkaloids and derivatives  Anisoles  Aryl alkyl ketones  Benzoyl derivatives  Methoxybenzenes  Phenoxy compounds  Alkylarylthioethers  Alkyl aryl ethers  Pyrimidones  Imidazoles  Heteroaromatic compounds  Vinylogous amides  Lactams  Ureas  Azacyclic compounds  Sulfenyl compounds  Organic oxides  Hydrocarbon derivatives  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Benzoyl - Phenol ether - Anisole - Methoxybenzene - Phenoxy compound - Aryl alkyl ketone - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Lactam - Sulfenyl compound - Thioether - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF-10A (2462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
DMSO (mM) Solubilidad máxima10
Peso molecular360.400 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass360.089 Da
Monoisotopic Mass360.089 Da
Topological Polar Surface Area121.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity552.000
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 soluciones
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