3474-0196 Screening compound: 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid

3474-0196 Screening compound: 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid
3474-0196 Screening compound: 2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0196
2-[(3-benzoyl-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

3474-0196

Molecular Formula

C17H12O5 (C17 H12 O5)

Compound Name

2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid

IUPAC name

2-[(3-benzoyl-1-benzofuran-5-yl)oxy]acetic acid

SMILES

OC(COc(cc1)cc2c1occ2C(c1ccccc1)=O)=O

InChI

InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-15-13(8-12)14(9-22-15)17(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)

InChI Key

KBXOJEAZTMJGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01241903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

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

2.852

Distribution Coefficient, logD

-1.385

Water Solubility, LogSw

-3.34

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

5.90

3474-0196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3474-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0196?
Check Price and Availability of 3474-0196, 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 3474-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0196
  • 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 3474-0196 available by request