E243-0055 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

E243-0055 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide
E243-0055 Screening compound: 2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E243-0055
2-[4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]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

E243-0055

Molecular Formula

C19H12F3N3O3 (C19 H12 F3 N3 O3)

Compound Name

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

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-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(C=Nc1c2oc3c1cccc3)C2=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H12F3N3O3/c20-19(21,22)12-6-2-3-7-13(12)24-15(26)9-25-10-23-16-11-5-1-4-8-14(11)28-17(16)18(25)27/h1-8,10H,9H2,(H,24,26)

InChI Key

OZYOYRDFAZTHMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05895326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.71

Polar Surface Area

54.686

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E243-0055 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E243-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E243-0055?
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What is the minimum amount of E243-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E243-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E243-0055
  • 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 E243-0055 available by request