E243-0017 Screening compound: 3-[2-oxo-2-(4-phenylpiperazino)ethyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

E243-0017 Screening compound: 3-[2-oxo-2-(4-phenylpiperazino)ethyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one
E243-0017 Screening compound: 3-[2-oxo-2-(4-phenylpiperazino)ethyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0017
3-[2-oxo-2-(4-phenylpiperazino)ethyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

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

E243-0017

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

3-[2-oxo-2-(4-phenylpiperazino)ethyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

O=C(CN(C=Nc1c2oc3c1cccc3)C2=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H20N4O3/c27-19(25-12-10-24(11-13-25)16-6-2-1-3-7-16)14-26-15-23-20-17-8-4-5-9-18(17)29-21(20)22(26)28/h1-9,15H,10-14H2

InChI Key

WAVAOVSOLSXCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.59

Polar Surface Area

51.887

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E243-0017 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E243-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0017?
Check Price and Availability of E243-0017, 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 E243-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0017
  • 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 E243-0017 available by request