8003-2871 Screening compound: N-(2-cyano-4-{3-cyano-4-[(4-nitrobenzoyl)amino]benzyl}phenyl)-4-nitrobenzamide

8003-2871 Screening compound: N-(2-cyano-4-{3-cyano-4-[(4-nitrobenzoyl)amino]benzyl}phenyl)-4-nitrobenzamide
8003-2871 Screening compound: N-(2-cyano-4-{3-cyano-4-[(4-nitrobenzoyl)amino]benzyl}phenyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2871
N-(2-cyano-4-{3-cyano-4-[(4-nitrobenzoyl)amino]benzyl}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

8003-2871

Molecular Formula

C29H18N6O6 (C29 H18 N6 O6)

Compound Name

N-(2-cyano-4-{3-cyano-4-[(4-nitrobenzoyl)amino]benzyl}phenyl)-4-nitrobenzamide

IUPAC name

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

SMILES

N#Cc(cc(Cc(cc1)cc(C#N)c1NC(c(cc1)ccc1[N+]([O-])=O)=O)cc1)c1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C29H18N6O6/c30-16-22-14-18(1-11-26(22)32-28(36)20-3-7-24(8-4-20)34(38)39)13-19-2-12-27(23(15-19)17-31)33-29(37)21-5-9-25(10-6-21)35(40)41/h1-12,14-15H,13H2,(H,32,36)(H,33,37)

InChI Key

LXKXXVJPMYCUAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.90

Polar Surface Area

145.629

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.45

References: we are preparing a list of scientific research reports with 8003-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2871?
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What is the minimum amount of 8003-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2871
  • 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 8003-2871 available by request