8002-2168 Screening compound: 3-[(E)-({4-[(E)-{[3-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 3,5-dinitrobenzoate

8002-2168 Screening compound: 3-[(E)-({4-[(E)-{[3-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 3,5-dinitrobenzoate
8002-2168 Screening compound: 3-[(E)-({4-[(E)-{[3-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-2168
3-[(E)-({4-[(E)-{[3-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 3,5-dinitrobenzoate

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

8002-2168

Molecular Formula

C34H20N6O12 (C34 H20 N6 O12)

Compound Name

3-[(E)-({4-[(E)-{[3-(3,5-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

3-[(E)-({4-[(E)-{[3-(35-dinitrobenzoyloxy)phenyl]methylidene}amino]phenyl}imino)methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2cccc(/C=N/c(cc3)ccc3/N=C/c3cccc(OC(c4cc([N+]([O-])=O)cc([N+]([O-])=O)c4)=O)c3)c2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C34H20N6O12/c41-33(23-13-27(37(43)44)17-28(14-23)38(45)46)51-31-5-1-3-21(11-31)19-35-25-7-9-26(10-8-25)36-20-22-4-2-6-32(12-22)52-34(42)24-15-29(39(47)48)18-30(16-24)40(49)50/h1-20H

InChI Key

AJULISSWTZZVNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00842223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

704.57

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.94

Polar Surface Area

190.775

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8002-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-2168?
Check Price and Availability of 8002-2168, 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 8002-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-2168
  • 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 8002-2168 available by request