E843-1061 Screening compound: 7-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1061 Screening compound: 7-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1061 Screening compound: 7-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-1061
7-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-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

E843-1061

Molecular Formula

C20H14N4O7 (C20 H14 N4 O7)

Compound Name

7-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

IUPAC name

7-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]ethyl}-2H5H6H7H8H-[13]dioxolo[45-g]quinazoline-68-dione

SMILES

O=C(c(cc1OCOc1c1)c1N1)N(CCc2nc(-c(cc3)cc4c3OCO4)no2)C1=O

InChI

InChI=1S/C20H14N4O7/c25-19-11-6-15-16(30-9-29-15)7-12(11)21-20(26)24(19)4-3-17-22-18(23-31-17)10-1-2-13-14(5-10)28-8-27-13/h1-2,5-7H,3-4,8-9H2,(H,21,26)

InChI Key

NNOBXAPEELCMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.73

Polar Surface Area

106.033

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E843-1061 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E843-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1061?
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What is the minimum amount of E843-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1061
  • 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 E843-1061 available by request