E843-0212 Screening compound: 2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}-N-phenylacetamide

E843-0212 Screening compound: 2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}-N-phenylacetamide
E843-0212 Screening compound: 2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-0212
2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}-N-phenylacetamide

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

E843-0212

Molecular Formula

C26H19N5O6 (C26 H19 N5 O6)

Compound Name

2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}-N-phenylacetamide

IUPAC name

2-{68-dioxo-7-[(3-phenyl-124-oxadiazol-5-yl)methyl]-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-5-yl}-N-phenylacetamide

SMILES

O=C(CN(c(cc1OCOc1c1)c1C(N1Cc2nc(-c3ccccc3)no2)=O)C1=O)Nc1ccccc1

InChI

InChI=1S/C26H19N5O6/c32-22(27-17-9-5-2-6-10-17)13-30-19-12-21-20(35-15-36-21)11-18(19)25(33)31(26(30)34)14-23-28-24(29-37-23)16-7-3-1-4-8-16/h1-12H,13-15H2,(H,27,32)

InChI Key

ALEUCRJCXLMFDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.42

Polar Surface Area

102.875

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E843-0212 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Therapeutical Diversity Annotated Library (7563 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

References: we are preparing a list of scientific research reports with E843-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-0212?
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What is the minimum amount of E843-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-0212
  • 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 E843-0212 available by request