6415-0057 Screening compound: 4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}benzoic acid

6415-0057 Screening compound: 4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}benzoic acid
6415-0057 Screening compound: 4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-0057
4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}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

6415-0057

Molecular Formula

C16H15BrO5 (C16 H15 BrO5)

Compound Name

4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}benzoic acid

IUPAC name

4-{[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl}benzoic acid

SMILES

COc1cc(CO)cc(Br)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C16H15BrO5/c1-21-14-7-11(8-18)6-13(17)15(14)22-9-10-2-4-12(5-3-10)16(19)20/h2-7,18H,8-9H2,1H3,(H,19,20)

InChI Key

PEGJVTINIIQLGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03862345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

0.309

Water Solubility, LogSw

-3.20

Polar Surface Area

60.793

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

6415-0057 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6415-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-0057?
Check Price and Availability of 6415-0057, 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 6415-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-0057
  • 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 6415-0057 available by request