1682-8918 Screening compound: ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

1682-8918 Screening compound: ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
1682-8918 Screening compound: ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8918
ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

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

1682-8918

Molecular Formula

C20H18O6 (C20 H18 O6)

Compound Name

ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(2-methoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2OCC(OC)=O)=O

InChI

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

InChI Key

PALOKGMKOSCTLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.24

Polar Surface Area

57.324

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1682-8918 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1682-8918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8918?
Check Price and Availability of 1682-8918, 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 1682-8918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8918
  • 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 1682-8918 available by request