E243-0089 Screening compound: 3-(3-methylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

E243-0089 Screening compound: 3-(3-methylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
E243-0089 Screening compound: 3-(3-methylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0089
3-(3-methylbenzyl)[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

E243-0089

Molecular Formula

C18H14N2O2 (C18 H14 N2 O2)

Compound Name

3-(3-methylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(3-methylphenyl)methyl]-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1cccc(CN(C=Nc2c3oc4c2cccc4)C3=O)c1

InChI

InChI=1S/C18H14N2O2/c1-12-5-4-6-13(9-12)10-20-11-19-16-14-7-2-3-8-15(14)22-17(16)18(20)21/h2-9,11H,10H2,1H3

InChI Key

QHBISGWFXMCLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.01

Polar Surface Area

32.234

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E243-0089 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with E243-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0089?
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What is the minimum amount of E243-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0089
  • 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 E243-0089 available by request