8002-9073 Screening compound: N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-nitrobenzamide

8002-9073 Screening compound: N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-nitrobenzamide
8002-9073 Screening compound: N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9073
N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-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

8002-9073

Molecular Formula

C27H18Cl2N4O6 (C27 H18 Cl2 N4 O6)

Compound Name

N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-nitrobenzamide

IUPAC name

N-(2-chloro-4-{[3-chloro-4-(2-nitrobenzamido)phenyl]methyl}phenyl)-2-nitrobenzamide

SMILES

[O-][N+](c(cccc1)c1C(Nc(ccc(Cc(cc1)cc(Cl)c1NC(c(cccc1)c1[N+]([O-])=O)=O)c1)c1Cl)=O)=O

InChI

InChI=1S/C27H18Cl2N4O6/c28-20-14-16(9-11-22(20)30-26(34)18-5-1-3-7-24(18)32(36)37)13-17-10-12-23(21(29)15-17)31-27(35)19-6-2-4-8-25(19)33(38)39/h1-12,14-15H,13H2,(H,30,34)(H,31,35)

InChI Key

WLQWWZMOFQQLAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.167

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-6.21

Polar Surface Area

110.915

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 8002-9073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9073?
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What is the minimum amount of 8002-9073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9073
  • 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 8002-9073 available by request