8003-5494 Screening compound: 2,6-dibromo-4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl benzoate

8003-5494 Screening compound: 2,6-dibromo-4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl benzoate
8003-5494 Screening compound: 2,6-dibromo-4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5494
2,6-dibromo-4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl benzoate

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

8003-5494

Molecular Formula

C22H17Br2NO2 (C22 H17 Br2 NO2)

Compound Name

2,6-dibromo-4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl benzoate

IUPAC name

26-dibromo-4-[(E)-[(24-dimethylphenyl)imino]methyl]phenyl benzoate

SMILES

Cc(cc1)cc(C)c1/N=C/c(cc1Br)cc(Br)c1OC(c1ccccc1)=O

InChI

InChI=1S/C22H17Br2NO2/c1-14-8-9-20(15(2)10-14)25-13-16-11-18(23)21(19(24)12-16)27-22(26)17-6-4-3-5-7-17/h3-13H,1-2H3

InChI Key

VTFJEDUFTGRCOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.890

Distribution Coefficient, logD

6.889

Water Solubility, LogSw

-5.76

Polar Surface Area

28.219

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with 8003-5494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5494?
Check Price and Availability of 8003-5494, 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 8003-5494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5494
  • 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 8003-5494 available by request