8004-5425 Screening compound: 4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium

8004-5425 Screening compound: 4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium
8004-5425 Screening compound: 4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5425
4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]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

8004-5425

Molecular Formula

C18H15N2O3 (C18 H15 N2 O3)

Compound Name

4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium

IUPAC name

4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium

SMILES

Cc1cc[n+](CC(c(cc2)ccc2[N+]([O-])=O)=O)c2ccccc12

InChI

InChI=1S/C18H15N2O3/c1-13-10-11-19(17-5-3-2-4-16(13)17)12-18(21)14-6-8-15(9-7-14)20(22)23/h2-11H,12H2,1H3/q+1

InChI Key

MRUZMCSBIVJNFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739399

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

307.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-3.99

Polar Surface Area

47.688

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8004-5425 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8004-5425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5425?
Check Price and Availability of 8004-5425, 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 8004-5425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5425
  • 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 8004-5425 available by request