E843-1044 Screening compound: 7-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1044 Screening compound: 7-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1044 Screening compound: 7-{2-[3-(4-methylphenyl)-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 E843-1044
7-{2-[3-(4-methylphenyl)-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

E843-1044

Molecular Formula

C20H16N4O5 (C20 H16 N4 O5)

Compound Name

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

SMILES

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

InChI

InChI=1S/C20H16N4O5/c1-11-2-4-12(5-3-11)18-22-17(29-23-18)6-7-24-19(25)13-8-15-16(28-10-27-15)9-14(13)21-20(24)26/h2-5,8-9H,6-7,10H2,1H3,(H,21,26)

InChI Key

ONKMAKXDWOIAPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

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

4.005

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.11

Polar Surface Area

88.917

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E843-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1044?
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What is the minimum amount of E843-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1044
  • 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 E843-1044 available by request