WAY-637685 - 10mM in DMSO , CAS No.790719-57-2

CAS: 790719-57-2 Cat. No.: W425971 Formule: C14H14ClNO Poids moléculaire: 247.72 PubChem CID: 2526759
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
W425971-1ml
Sur commande · 8–12 semaines

178,67€

209,91€
Enregistrer 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.

Vue d’ensemble

active against PfDHODH resistant mutants

Specifications

Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Propriétés du produit
ALogP
3.448
Nombre de HBD
1
Liaison rotative
3
Noms et identifiants
Sourires canoniques
CC1=C(C(=CN1)CC2=CC=CC=C2Cl)C(=O)C
IUPAC Name
1-[4-[(2-chlorophenyl)methyl]-2-methyl-1H-pyrrol-3-yl]ethanone
InChIKey
KGTWFPWIBRCBCI-UHFFFAOYSA-N
INCHI
1S/C14H14ClNO/c1-9-14(10(2)17)12(8-16-9)7-11-5-3-4-6-13(11)15/h3-6,8,16H,7H2,1-2H3
Isomères SMILES
CC1=C(C(=CN1)CC2=CC=CC=C2Cl)C(=O)C
PubChem CID
2526759
Poids moléculaire
247.72

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
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones
Direct ParentAryl alkyl ketones
Alternative Parents Chlorobenzenes  Substituted pyrroles  Aryl chlorides  Vinylogous amides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
DMSO (mM) Solubilité maximale10
Poids moléculaire247.720 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass247.076 Da
Monoisotopic Mass247.076 Da
Topological Polar Surface Area32.900 Ų
Heavy Atom Count17
Formal Charge0
Complexity281.000
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
Calculateurs de solution
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