E243-0077 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-phenethylacetamide

E243-0077 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-phenethylacetamide
E243-0077 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0077
2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-phenethylacetamide

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

E243-0077

Molecular Formula

C20H17N3O3 (C20 H17 N3 O3)

Compound Name

2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-phenethylacetamide

IUPAC name

2-{6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}-N-(2-phenylethyl)acetamide

SMILES

O=C(CN(C=Nc1c2oc3c1cccc3)C2=O)NCCc1ccccc1

InChI

InChI=1S/C20H17N3O3/c24-17(21-11-10-14-6-2-1-3-7-14)12-23-13-22-18-15-8-4-5-9-16(15)26-19(18)20(23)25/h1-9,13H,10-12H2,(H,21,24)

InChI Key

YTPTULOUXJQEMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.72

Polar Surface Area

56.547

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E243-0077 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 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

References: we are preparing a list of scientific research reports with E243-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0077?
Check Price and Availability of E243-0077, 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 E243-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0077
  • 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 E243-0077 available by request