8018-4219 Screening compound: 4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide

8018-4219 Screening compound: 4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide
8018-4219 Screening compound: 4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4219
4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide

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

8018-4219

Molecular Formula

C20H13Cl2N3O4 (C20 H13 Cl2 N3 O4)

Compound Name

4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide

IUPAC name

4-chloro-N-[2-(4-chlorobenzamido)-5-nitrophenyl]benzamide

SMILES

[O-][N+](c(cc1)cc(NC(c(cc2)ccc2Cl)=O)c1NC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H13Cl2N3O4/c21-14-5-1-12(2-6-14)19(26)23-17-10-9-16(25(28)29)11-18(17)24-20(27)13-3-7-15(22)8-4-13/h1-11H,(H,23,26)(H,24,27)

InChI Key

SJGXSHFMWYLPQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-5.33

Polar Surface Area

78.407

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-4219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4219?
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What is the minimum amount of 8018-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4219
  • 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 8018-4219 available by request