8004-4531 Screening compound: 2,4-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl benzoate

8004-4531 Screening compound: 2,4-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl benzoate
8004-4531 Screening compound: 2,4-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4531
2,4-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]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

8004-4531

Molecular Formula

C20H13Br2N3O3 (C20 H13 Br2 N3 O3)

Compound Name

2,4-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl benzoate

IUPAC name

24-dibromo-6-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]phenyl benzoate

SMILES

O=C(c1ccncc1)N/N=C/c1cc(Br)cc(Br)c1OC(c1ccccc1)=O

InChI

InChI=1S/C20H13Br2N3O3/c21-16-10-15(12-24-25-19(26)13-6-8-23-9-7-13)18(17(22)11-16)28-20(27)14-4-2-1-3-5-14/h1-12H,(H,25,26)

InChI Key

MMOAOPRIVFRLMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-4.74

Polar Surface Area

65.534

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8004-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4531?
Check Price and Availability of 8004-4531, 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 8004-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4531
  • 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 8004-4531 available by request