8003-5781 Screening compound: 1,4-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-1,4-dicarboxylate

8003-5781 Screening compound: 1,4-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-1,4-dicarboxylate
8003-5781 Screening compound: 1,4-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5781
1,4-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-1,4-dicarboxylate

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

8003-5781

Molecular Formula

C38H27N3O10 (C38 H27 N3 O10)

Compound Name

1,4-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-1,4-dicarboxylate

IUPAC name

14-bis({4-[(E)-{[4-(methoxycarbonyl)phenyl]imino}methyl]phenyl}) 2-nitrobenzene-14-dicarboxylate

SMILES

COC(c(cc1)ccc1/N=C/c(cc1)ccc1OC(c(cc1)cc([N+]([O-])=O)c1C(Oc1ccc(/C=N/c(cc2)ccc2C(OC)=O)cc1)=O)=O)=O

InChI

InChI=1S/C38H27N3O10/c1-48-35(42)26-7-12-29(13-8-26)39-22-24-3-16-31(17-4-24)50-37(44)28-11-20-33(34(21-28)41(46)47)38(45)51-32-18-5-25(6-19-32)23-40-30-14-9-27(10-15-30)36(43)49-2/h3-23H,1-2H3

InChI Key

ACCBMWKJEWZTAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.65

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.71

Polar Surface Area

132.677

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 8003-5781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5781?
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What is the minimum amount of 8003-5781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5781
  • 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 8003-5781 available by request