8006-2791 Screening compound: N-{2-chloro-4-[3-chloro-4-({(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino)benzyl]phenyl}-N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amine

8006-2791 Screening compound: N-{2-chloro-4-[3-chloro-4-({(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino)benzyl]phenyl}-N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amine
8006-2791 Screening compound: N-{2-chloro-4-[3-chloro-4-({(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino)benzyl]phenyl}-N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2791
N-{2-chloro-4-[3-chloro-4-({(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino)benzyl]phenyl}-N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amine

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

8006-2791

Molecular Formula

C41H28Cl2N6O12 (C41 H28 Cl2 N6 O12)

Compound Name

N-{2-chloro-4-[3-chloro-4-({(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino)benzyl]phenyl}-N-{(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}amine

IUPAC name

(E)-N-[2-chloro-4-({3-chloro-4-[(E)-{[4-(24-dinitrophenoxy)-3-methoxyphenyl]methylidene}amino]phenyl}methyl)phenyl]-1-[4-(24-dinitrophenoxy)-3-methoxyphenyl]methanimine

SMILES

COc(cc(/C=N/c(ccc(Cc(cc1)cc(Cl)c1/N=C/c(cc1)cc(OC)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)c1)c1Cl)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C41H28Cl2N6O12/c1-58-40-18-26(5-11-38(40)60-36-13-7-28(46(50)51)20-34(36)48(54)55)22-44-32-9-3-24(16-30(32)42)15-25-4-10-33(31(43)17-25)45-23-27-6-12-39(41(19-27)59-2)61-37-14-8-29(47(52)53)21-35(37)49(56)57/h3-14,16-23H,15H2,1-2H3

InChI Key

CPQUCFKBCLXPSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

867.61

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

9.700

Distribution Coefficient, logD

9.698

Water Solubility, LogSw

-6.83

Polar Surface Area

176.853

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.32

References: we are preparing a list of scientific research reports with 8006-2791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2791?
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What is the minimum amount of 8006-2791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2791
  • 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 8006-2791 available by request