8002-3836 Screening compound: 4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 4-bromo-3-nitrobenzoate

8002-3836 Screening compound: 4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 4-bromo-3-nitrobenzoate
8002-3836 Screening compound: 4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 4-bromo-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-3836
4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 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

8002-3836

Molecular Formula

C26H20Br2N2O8 (C26 H20 Br2 N2 O8)

Compound Name

4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 4-bromo-3-nitrobenzoate

IUPAC name

4-(4-bromo-3-nitrobenzoyloxy)-2-cyclohexylphenyl 4-bromo-3-nitrobenzoate

SMILES

[O-][N+](c(cc(cc1)C(Oc(cc2)cc(C3CCCCC3)c2OC(c(cc2)cc([N+]([O-])=O)c2Br)=O)=O)c1Br)=O

InChI

InChI=1S/C26H20Br2N2O8/c27-20-9-6-16(12-22(20)29(33)34)25(31)37-18-8-11-24(19(14-18)15-4-2-1-3-5-15)38-26(32)17-7-10-21(28)23(13-17)30(35)36/h6-15H,1-5H2

InChI Key

AWYHROWIPQXIOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

648.26

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.120

Distribution Coefficient, logD

7.120

Water Solubility, LogSw

-6.08

Polar Surface Area

107.162

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 8002-3836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-3836?
Check Price and Availability of 8002-3836, 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 8002-3836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-3836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-3836
  • 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 8002-3836 available by request