WAY-652291 - 10mM in DMSO , CAS No.854137-39-6

CAS: 854137-39-6 Cat. No.: W426373 Summenformel: C18H17N3O4 Molekulargewicht: 339.34528 PubChem CID: 4794457
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GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Deutschland (EU)
USA*
Price
Qty
1ml
W426373-1ml
Auf Bestellung · 8–12 Wochen

178,67€

209,91€
Speichern 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.

Übersicht

BET Bromodomain Inhibitor

Specifications

Spezifikationen & Reinheit
10mM in DMSO
Storage
Store at -80°C
Verschickt in
Dry ice packs + Cold packs
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Produkteigenschaften
ALogP
1.286
HBD-Zahl
1
Rotationsfähige Bindung
1
Namen und Kennungen
Kanonisches Lächeln
CC1=CC=C(C=C1)C2C3=C(COC3=O)NC4=C2C(=O)N(C(=O)N4C)C
IUPAC Name
11,13-dimethyl-8-(4-methylphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
InChIKey
AVGOOVXJYOSRNE-UHFFFAOYSA-N
INCHI
1S/C18H17N3O4/c1-9-4-6-10(7-5-9)12-13-11(8-25-17(13)23)19-15-14(12)16(22)21(3)18(24)20(15)2/h4-7,12,19H,8H2,1-3H3
Isomere SMILES
CC1=CC=C(C=C1)C2C3=C(COC3=O)NC4=C2C(=O)N(C(=O)N4C)C
PubChem CID
4794457
Molekulargewicht
339.34528

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
SuperclassOrganoheterocyclic compounds
KlassePyridopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyridopyrimidines
Alternative Parents Toluenes  Pyrimidones  Butenolides  Pyridines and derivatives  Vinylogous amides  Enoate esters  Heteroaromatic compounds  Lactones  Lactams  Ureas  Monocarboxylic acids and derivatives  Azacyclic compounds  Enamines  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridopyrimidine - Pyrimidone - Toluene - Monocyclic benzene moiety - 2-furanone - Pyridine - Pyrimidine - Benzenoid - Dihydrofuran - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Urea - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Enamine - Azacycle - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
DMSO (mM) Maximale Löslichkeit10
Molekulargewicht339.300 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass339.122 Da
Monoisotopic Mass339.122 Da
Topological Polar Surface Area79.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity731.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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