0180-0404 Screening compound: N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide

0180-0404 Screening compound: N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide
0180-0404 Screening compound: N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0404
N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide

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

0180-0404

Molecular Formula

C22H13Cl2N3O4 (C22 H13 Cl2 N3 O4)

Compound Name

N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide

IUPAC name

N-{3-chloro-4-[(5-chloroquinolin-8-yl)oxy]phenyl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)cc(Cl)c1Oc(c1ncccc11)ccc1Cl)=O)=O

InChI

InChI=1S/C22H13Cl2N3O4/c23-17-8-10-20(21-16(17)2-1-11-25-21)31-19-9-5-14(12-18(19)24)26-22(28)13-3-6-15(7-4-13)27(29)30/h1-12H,(H,26,28)

InChI Key

PMZHIWHZZZSBNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-6.41

Polar Surface Area

73.165

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0180-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0404?
Check Price and Availability of 0180-0404, 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 0180-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0404
  • 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 0180-0404 available by request