0986-0280 Screening compound: 3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium

0986-0280 Screening compound: 3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium
0986-0280 Screening compound: 3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0986-0280
3-bromo-1-[2-(4-methoxy-3-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

0986-0280

Molecular Formula

C18H14BrN2O4 (C18 H14 BrN2 O4)

Compound Name

3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium

IUPAC name

3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium

SMILES

COc(ccc(C(C[n+]1cc(Br)cc2ccccc12)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H14BrN2O4/c1-25-18-7-6-13(9-16(18)21(23)24)17(22)11-20-10-14(19)8-12-4-2-3-5-15(12)20/h2-10H,11H2,1H3/q+1

InChI Key

GXSUWOAREBDPHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01023852

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

402.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.18

Polar Surface Area

54.910

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0986-0280 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0986-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0986-0280?
Check Price and Availability of 0986-0280, 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 0986-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0986-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0986-0280
  • 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 0986-0280 available by request