E243-0109 Screening compound: benzyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate

E243-0109 Screening compound: benzyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate
E243-0109 Screening compound: benzyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0109
benzyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate

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

E243-0109

Molecular Formula

C19H14N2O4 (C19 H14 N2 O4)

Compound Name

benzyl 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetate

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2oc3c1cccc3)C2=O)OCc1ccccc1

InChI

InChI=1S/C19H14N2O4/c22-16(24-11-13-6-2-1-3-7-13)10-21-12-20-17-14-8-4-5-9-15(14)25-18(17)19(21)23/h1-9,12H,10-11H2

InChI Key

KCCNSZUDGAQJGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05910665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.12

Polar Surface Area

52.769

Acid Dissociation Constant (pKa)

26.60

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E243-0109 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E243-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0109?
Check Price and Availability of E243-0109, 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 E243-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0109
  • 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 E243-0109 available by request