6408-0490 Screening compound: 4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}amino)benzoic acid

6408-0490 Screening compound: 4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}amino)benzoic acid
6408-0490 Screening compound: 4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0490
4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}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

6408-0490

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}amino)benzoic acid

IUPAC name

4-({[4-(benzyloxy)-3-ethoxyphenyl]methyl}amino)benzoic acid

SMILES

CCOc(cc(CNc(cc1)ccc1C(O)=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C23H23NO4/c1-2-27-22-14-18(15-24-20-11-9-19(10-12-20)23(25)26)8-13-21(22)28-16-17-6-4-3-5-7-17/h3-14,24H,2,15-16H2,1H3,(H,25,26)

InChI Key

VCPBLASEFYZTCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04150794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

2.054

Water Solubility, LogSw

-4.50

Polar Surface Area

53.406

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6408-0490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6408-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0490?
Check Price and Availability of 6408-0490, 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 6408-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0490
  • 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 6408-0490 available by request