Walrycin B - Moligand™, 10mM in DMSO , CAS No.878419-78-4

CAS: 878419-78-4 Cat. No.: W426638 Formule: C14H10F3N5O2 Poids moléculaire: 337.26 PubChem CID: 3164070
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
Allemagne (EU)*
Price
Qty
1ml
W426638-1ml
1 En stock
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178,90$US

261,90$US
Enregistrer 83,00 $US (31.69%)
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Why this grade

Moligand™, 10mM in DMSO Moligand™ 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.

Vue d’ensemble

Information

Walrycin B Walrycin B is an antibacterial compound and a potent inhibitor of WalR targeting the WalR response regulator.

Targets

WalR

Specifications

Spécifications et pureté
Moligand™, 10mM in DMSO
Mécanismes biochimiques et physiologiques
Walrycin B is an antibacterial compound and a potent inhibitor of WalR targeting the WalR response regulator.
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.
Grade
Moligand™
Propriétés du produit
ALogP2.173
Liaison rotative2
Noms et identifiants
Pubchem Sid528768483
Sourires canoniquesCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
IUPAC Name1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
InChIKeyXRVMPTWWKLKLPB-UHFFFAOYSA-N
INCHI1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
Isomères SMILES CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
PubChem CID 3164070
Poids moléculaire 337.26

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
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Pyrimidones  1,2,4-triazines  Vinylogous amides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Trifluoromethylbenzene - Pyrimidone - Pyrimidine - Triazine - 1,2,4-triazine - Vinylogous amide - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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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 (mg/mL) Solubilité maximale40
DMSO (mM) Solubilité maximale118.602858328886
Eau (mg/mL) Solubilité maximale<1
Poids moléculaire337.260 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass337.079 Da
Monoisotopic Mass337.079 Da
Topological Polar Surface Area77.700 Ų
Heavy Atom Count24
Formal Charge0
Complexity674.000
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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