WAY-345057 - 10mM in DMSO , CAS No.312591-60-9

CAS: 312591-60-9 Cat. No.: W423216 Summenformel: C21H22N2O3 Molekulargewicht: 350.41 PubChem CID: 2880626
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GRADE & PURITY 10mM in DMSO
Synonyms
2-(4-Oxo-4-(piperidin-1-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione|312591-60-9|6013-42-9|CBMicro_032698|SCHEMBL16384130|DTXSID40387089|2-(4-oxo-4-piperidin-1-ylbutyl)benzo[de]isoquinoline-1,3-dione|AKOS001050998|WAY-345057|BIM-0032733.P001|SR-010002
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Deutschland (EU)
USA*
Price
Qty
1ml
W423216-1ml
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1 Auf Lager

143,09€

209,91€
Speichern 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.

Übersicht

PfENT1 inhibitor; Inhibitor of Plasmodium falciparum equilibrative nucleoside transporter type 1;

Specifications

Synonyme
2-(4-Oxo-4-(piperidin-1-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | 312591-60-9 | 6013-42-9 | CBMicro_032698 | SCHEMBL16384130 | DTXSID40387089 | 2-(4-oxo-4-piperidin-1-ylbutyl)benzo[de]isoquinoline-1,3-dione | AKOS001050998 | WAY-345057 | BIM-0032733.P001 | SR-010002
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
2.523
Rotationsfähige Bindung
4
Namen und Kennungen
Pubchem Sid
Kanonisches Lächeln
C1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
IUPAC Name
2-(4-oxo-4-piperidin-1-ylbutyl)benzo[de]isoquinoline-1,3-dione
InChIKey
OVDHZHUNEIXCAJ-UHFFFAOYSA-N
INCHI
1S/C21H22N2O3/c24-18(22-12-2-1-3-13-22)11-6-14-23-20(25)16-9-4-7-15-8-5-10-17(19(15)16)21(23)26/h4-5,7-10H,1-3,6,11-14H2
Isomere SMILES
C1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
PubChem CID
2880626
Molekulargewicht
350.41

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
KlasseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Naphthalenes  N-acylpiperidines  N-substituted carboxylic acid imides  Tertiary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - Naphthalene - N-acyl-piperidine - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





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
Molekulargewicht350.400 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass350.163 Da
Monoisotopic Mass350.163 Da
Topological Polar Surface Area57.700 Ų
Heavy Atom Count26
Formal Charge0
Complexity540.000
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
Lösungsrechner
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