3454-1908 Screening compound: 4-ethoxy-2-methyl-3-oxo-3,4-dihydroquinoxalin-1-ium-1-olate

3454-1908 Screening compound: 4-ethoxy-2-methyl-3-oxo-3,4-dihydroquinoxalin-1-ium-1-olate
3454-1908 Screening compound: 4-ethoxy-2-methyl-3-oxo-3,4-dihydroquinoxalin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-1908
4-ethoxy-2-methyl-3-oxo-3,4-dihydroquinoxalin-1-ium-1-olate

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

3454-1908

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

4-ethoxy-2-methyl-3-oxo-3,4-dihydroquinoxalin-1-ium-1-olate

IUPAC name

4-ethoxy-2-methyl-3-oxo-34-dihydroquinoxalin-1-ium-1-olate

SMILES

CCON(c(cccc1)c1[N+]([O-])=C1C)C1=O

InChI

InChI=1S/C11H12N2O3/c1-3-16-13-10-7-5-4-6-9(10)12(15)8(2)11(13)14/h4-7H,3H2,1-2H3

InChI Key

JSLZGPONLCARCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.561

Distribution Coefficient, logD

1.561

Water Solubility, LogSw

-1.87

Polar Surface Area

45.064

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3454-1908 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3454-1908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-1908?
Check Price and Availability of 3454-1908, 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 3454-1908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-1908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-1908
  • 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 3454-1908 available by request