2043-5146 Screening compound: 2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-nitrophenyl)benzamide

2043-5146 Screening compound: 2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-nitrophenyl)benzamide
2043-5146 Screening compound: 2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-5146
2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-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

2043-5146

Molecular Formula

C27H18Cl2N4O6 (C27 H18 Cl2 N4 O6)

Compound Name

2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-nitrophenyl)benzamide

IUPAC name

2-chloro-N-(4-{[4-(2-chlorobenzamido)-2-nitrophenyl]methyl}-3-nitrophenyl)benzamide

SMILES

[O-][N+](c1c(Cc(ccc(NC(c(cccc2)c2Cl)=O)c2)c2[N+]([O-])=O)ccc(NC(c(cccc2)c2Cl)=O)c1)=O

InChI

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

InChI Key

JDYDGHWSJYMOPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589090

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

6.934

Distribution Coefficient, logD

6.785

Water Solubility, LogSw

-6.46

Polar Surface Area

112.310

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

2043-5146 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2043-5146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-5146?
Check Price and Availability of 2043-5146, 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 2043-5146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-5146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-5146
  • 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 2043-5146 available by request