E843-1046 Screening compound: 7-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1046 Screening compound: 7-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1046 Screening compound: 7-{2-[3-(3-chlorophenyl)-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 E843-1046
7-{2-[3-(3-chlorophenyl)-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

E843-1046

Molecular Formula

C19H13ClN4O5 (C19 H13 ClN4 O5)

Compound Name

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

SMILES

O=C(c(cc1OCOc1c1)c1N1)N(CCc2nc(-c3cccc(Cl)c3)no2)C1=O

InChI

InChI=1S/C19H13ClN4O5/c20-11-3-1-2-10(6-11)17-22-16(29-23-17)4-5-24-18(25)12-7-14-15(28-9-27-14)8-13(12)21-19(24)26/h1-3,6-8H,4-5,9H2,(H,21,26)

InChI Key

SWQOEYHFFFOKKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.56

Polar Surface Area

88.917

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E843-1046 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E843-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1046?
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What is the minimum amount of E843-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1046
  • 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 E843-1046 available by request