E843-1366 Screening compound: 7-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1366 Screening compound: 7-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1366 Screening compound: 7-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-1366
7-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl}-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

E843-1366

Molecular Formula

C21H18N4O5 (C21 H18 N4 O5)

Compound Name

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

IUPAC name

7-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]propyl}-2H5H6H7H8H-[13]dioxolo[45-g]quinazoline-68-dione

SMILES

Cc(cc1)ccc1-c1noc(CCCN(C(c(cc2OCOc2c2)c2N2)=O)C2=O)n1

InChI

InChI=1S/C21H18N4O5/c1-12-4-6-13(7-5-12)19-23-18(30-24-19)3-2-8-25-20(26)14-9-16-17(29-11-28-16)10-15(14)22-21(25)27/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,27)

InChI Key

LAULBZWHLSFVIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.10

Polar Surface Area

88.917

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E843-1366 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E843-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1366?
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What is the minimum amount of E843-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1366
  • 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 E843-1366 available by request