8004-5419 Screening compound: 4-(benzyloxy)phenyl 3-bromobenzoate

8004-5419 Screening compound: 4-(benzyloxy)phenyl 3-bromobenzoate
8004-5419 Screening compound: 4-(benzyloxy)phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5419
4-(benzyloxy)phenyl 3-bromobenzoate

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

8004-5419

Molecular Formula

C20H15BrO3 (C20 H15 BrO3)

Compound Name

4-(benzyloxy)phenyl 3-bromobenzoate

IUPAC name

4-(benzyloxy)phenyl 3-bromobenzoate

SMILES

O=C(c1cccc(Br)c1)Oc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C20H15BrO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2

InChI Key

GWCQOJLRRMTTEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.95

Polar Surface Area

27.844

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8004-5419 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
  • Proteases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8004-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5419?
Check Price and Availability of 8004-5419, 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 8004-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5419
  • 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 8004-5419 available by request