0466-0368 Screening compound: 2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-nitrobenzoate

0466-0368 Screening compound: 2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-nitrobenzoate
0466-0368 Screening compound: 2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0368
2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-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

0466-0368

Molecular Formula

C27H14Br2N2O9 (C27 H14 Br2 N2 O9)

Compound Name

2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-nitrobenzoate

IUPAC name

2-benzoyl-5-(4-bromo-3-nitrobenzoyloxy)phenyl 4-bromo-3-nitrobenzoate

SMILES

[O-][N+](c(cc(cc1)C(Oc(cc2)cc(OC(c(cc3)cc([N+]([O-])=O)c3Br)=O)c2C(c2ccccc2)=O)=O)c1Br)=O

InChI

InChI=1S/C27H14Br2N2O9/c28-20-10-6-16(12-22(20)30(35)36)26(33)39-18-8-9-19(25(32)15-4-2-1-3-5-15)24(14-18)40-27(34)17-7-11-21(29)23(13-17)31(37)38/h1-14H

InChI Key

AIZRKHUVNYHHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

670.22

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.232

Distribution Coefficient, logD

6.232

Water Solubility, LogSw

-6.09

Polar Surface Area

120.709

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0466-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0368?
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What is the minimum amount of 0466-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0368
  • 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 0466-0368 available by request