0350-0091 Screening compound: 2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium

0350-0091 Screening compound: 2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium
0350-0091 Screening compound: 2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0350-0091
2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0350-0091

Molecular Formula

C13H12NO (C13 H12 NO)

Compound Name

2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium

IUPAC name

2-[(1E)-3-oxobut-1-en-1-yl]quinolin-1-ium

SMILES

CC(/C=C/c1[nH+]c2ccccc2cc1)=O

InChI

InChI=1S/C13H11NO/c1-10(15)6-8-12-9-7-11-4-2-3-5-13(11)14-12/h2-9H,1H3/p+1

InChI Key

ZFAXBDTVRSPYNB-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00985266

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

198.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.72

Polar Surface Area

22.399

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0350-0091 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0350-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0350-0091?
Check Price and Availability of 0350-0091, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0350-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0350-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0350-0091
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0350-0091 available by request