1682-8860 Screening compound: ethyl 5-(acetyloxy)-2-phenyl-1-benzofuran-3-carboxylate

1682-8860 Screening compound: ethyl 5-(acetyloxy)-2-phenyl-1-benzofuran-3-carboxylate
1682-8860 Screening compound: ethyl 5-(acetyloxy)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-8860
ethyl 5-(acetyloxy)-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

1682-8860

Molecular Formula

C19H16O5 (C19 H16 O5)

Compound Name

ethyl 5-(acetyloxy)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(acetyloxy)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

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

InChI

InChI=1S/C19H16O5/c1-3-22-19(21)17-15-11-14(23-12(2)20)9-10-16(15)24-18(17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3

InChI Key

NLTDUPZYZQRUTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.20

Polar Surface Area

49.997

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1682-8860 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1682-8860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-8860?
Check Price and Availability of 1682-8860, 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 1682-8860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-8860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-8860
  • 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 1682-8860 available by request