3228-0015 Screening compound: 2-{[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

3228-0015 Screening compound: 2-{[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic acid
3228-0015 Screening compound: 2-{[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0015
2-{[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic 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

3228-0015

Molecular Formula

C19H16O7 (C19 H16 O7)

Compound Name

2-{[3-(2,5-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

IUPAC name

2-{[3-(25-dimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

SMILES

COc(cc1)cc(C(c2coc(cc3)c2cc3OCC(O)=O)=O)c1OC

InChI

InChI=1S/C19H16O7/c1-23-11-3-5-16(24-2)14(7-11)19(22)15-9-26-17-6-4-12(8-13(15)17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H,20,21)

InChI Key

NSTOFPBKTLNURF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00564041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

-1.083

Water Solubility, LogSw

-3.19

Polar Surface Area

74.322

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3228-0015 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)

New Agro Library (44492 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
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3228-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0015?
Check Price and Availability of 3228-0015, 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 3228-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0015
  • 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 3228-0015 available by request