3474-0198 Screening compound: 2-{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

3474-0198 Screening compound: 2-{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid
3474-0198 Screening compound: 2-{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0198
2-{[3-(4-methylbenzoyl)-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

3474-0198

Molecular Formula

C18H14O5 (C18 H14 O5)

Compound Name

2-{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

IUPAC name

2-{[3-(4-methylbenzoyl)-1-benzofuran-5-yl]oxy}acetic acid

SMILES

Cc(cc1)ccc1C(c1coc(cc2)c1cc2OCC(O)=O)=O

InChI

InChI=1S/C18H14O5/c1-11-2-4-12(5-3-11)18(21)15-9-23-16-7-6-13(8-14(15)16)22-10-17(19)20/h2-9H,10H2,1H3,(H,19,20)

InChI Key

LJKJPOGCAPVQOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

-0.857

Water Solubility, LogSw

-3.44

Polar Surface Area

59.148

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3474-0198 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3474-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0198?
Check Price and Availability of 3474-0198, 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 3474-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0198
  • 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 3474-0198 available by request