2516-2040 Screening compound: 2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic acid

2516-2040 Screening compound: 2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic acid
2516-2040 Screening compound: 2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-2040
2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic 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

2516-2040

Molecular Formula

C20H18O6 (C20 H18 O6)

Compound Name

2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic acid

IUPAC name

2-{[3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-yl]oxy}propanoic acid

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2OC(C)C(O)=O)=O

InChI

InChI=1S/C20H18O6/c1-3-24-20(23)17-15-11-14(25-12(2)19(21)22)9-10-16(15)26-18(17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,21,22)/t12-/m0/s1

InChI Key

MFKXUKSFBISLPF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01847545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-4.25

Polar Surface Area

64.444

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

2516-2040 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2516-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-2040?
Check Price and Availability of 2516-2040, 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 2516-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-2040
  • 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 2516-2040 available by request