E243-0052 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetamide

E243-0052 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetamide
E243-0052 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0052
N~1~-(3,4-dimethoxyphenyl)-2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetamide

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

E243-0052

Molecular Formula

C20H17N3O5 (C20 H17 N3 O5)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{6-oxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}acetamide

SMILES

COc(ccc(NC(CN(C=Nc1c2oc3c1cccc3)C2=O)=O)c1)c1OC

InChI

InChI=1S/C20H17N3O5/c1-26-15-8-7-12(9-16(15)27-2)22-17(24)10-23-11-21-18-13-5-3-4-6-14(13)28-19(18)20(23)25/h3-9,11H,10H2,1-2H3,(H,22,24)

InChI Key

AHDZFXURZUUVHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-3.13

Polar Surface Area

70.645

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E243-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Proteases Annotated Library (2868 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E243-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0052?
Check Price and Availability of E243-0052, 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 E243-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0052
  • 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 E243-0052 available by request