E843-0264 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-0264 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-0264 Screening compound: 5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-0264
5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

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

E843-0264

Molecular Formula

C27H18N4O8 (C27 H18 N4 O8)

Compound Name

5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

IUPAC name

5-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-124-oxadiazol-5-yl)methyl]-2H5H6H7H8H-[13]dioxolo[45-g]quinazoline-68-dione

SMILES

O=C(CN(c(cc1OCOc1c1)c1C(N1Cc2nc(-c3ccccc3)no2)=O)C1=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C27H18N4O8/c32-19(16-6-7-20-21(8-16)36-13-35-20)11-30-18-10-23-22(37-14-38-23)9-17(18)26(33)31(27(30)34)12-24-28-25(29-39-24)15-4-2-1-3-5-15/h1-10H,11-14H2

InChI Key

KFYYHKIYZOAQQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.86

Polar Surface Area

110.088

Acid Dissociation Constant (pKa)

20.64

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E843-0264 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E843-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-0264?
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What is the minimum amount of E843-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-0264
  • 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 E843-0264 available by request