0711-0354 Screening compound: 1,4-bis[(4-nitrophenyl)methyl] benzene-1,4-dicarboxylate

0711-0354 Screening compound: 1,4-bis[(4-nitrophenyl)methyl] benzene-1,4-dicarboxylate
0711-0354 Screening compound: 1,4-bis[(4-nitrophenyl)methyl] benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0354
1,4-bis[(4-nitrophenyl)methyl] benzene-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

0711-0354

Molecular Formula

C22H16N2O8 (C22 H16 N2 O8)

Compound Name

1,4-bis[(4-nitrophenyl)methyl] benzene-1,4-dicarboxylate

IUPAC name

14-bis[(4-nitrophenyl)methyl] benzene-14-dicarboxylate

SMILES

[O-][N+](c1ccc(COC(c(cc2)ccc2C(OCc(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O

InChI

InChI=1S/C22H16N2O8/c25-21(31-13-15-1-9-19(10-2-15)23(27)28)17-5-7-18(8-6-17)22(26)32-14-16-3-11-20(12-4-16)24(29)30/h1-12H,13-14H2

InChI Key

JNOBYCFEIDNMMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.38

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.391

Water Solubility, LogSw

-5.88

Polar Surface Area

108.717

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0711-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0354?
Check Price and Availability of 0711-0354, 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 0711-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0354
  • 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 0711-0354 available by request