8004-0254 Screening compound: 4-[((E)-1-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)amino]benzoic acid

8004-0254 Screening compound: 4-[((E)-1-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)amino]benzoic acid
8004-0254 Screening compound: 4-[((E)-1-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0254
4-[((E)-1-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)amino]benzoic acid

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

8004-0254

Molecular Formula

C21H16BrNO3 (C21 H16 BrNO3)

Compound Name

4-[((E)-1-{4-[(4-bromobenzyl)oxy]phenyl}methylidene)amino]benzoic acid

IUPAC name

4-[(E)-({4-[(4-bromophenyl)methoxy]phenyl}methylidene)amino]benzoic acid

SMILES

OC(c(cc1)ccc1/N=C/c(cc1)ccc1OCc(cc1)ccc1Br)=O

InChI

InChI=1S/C21H16BrNO3/c22-18-7-1-16(2-8-18)14-26-20-11-3-15(4-12-20)13-23-19-9-5-17(6-10-19)21(24)25/h1-13H,14H2,(H,24,25)

InChI Key

UXGNZCQMGPQYAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-5.51

Polar Surface Area

44.002

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

8004-0254 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8004-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0254?
Check Price and Availability of 8004-0254, 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 8004-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0254
  • 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 8004-0254 available by request