0257-0047 Screening compound: 3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate

0257-0047 Screening compound: 3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate
0257-0047 Screening compound: 3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0257-0047
3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate

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

0257-0047

Molecular Formula

C20H12N2O8 (C20 H12 N2 O8)

Compound Name

3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate

IUPAC name

3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(Oc1cccc(OC(c(cc2)ccc2[N+]([O-])=O)=O)c1)=O)=O

InChI

InChI=1S/C20H12N2O8/c23-19(13-4-8-15(9-5-13)21(25)26)29-17-2-1-3-18(12-17)30-20(24)14-6-10-16(11-7-14)22(27)28/h1-12H

InChI Key

KHGQFCSYBZYGIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.56

Polar Surface Area

107.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0257-0047 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0257-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0257-0047?
Check Price and Availability of 0257-0047, 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 0257-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0257-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0257-0047
  • 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 0257-0047 available by request