E843-1063 Screening compound: 7-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1063 Screening compound: 7-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1063 Screening compound: 7-(2-{3-[3-(trifluoromethyl)phenyl]-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 E843-1063
7-(2-{3-[3-(trifluoromethyl)phenyl]-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

E843-1063

Molecular Formula

C20H13F3N4O5 (C20 H13 F3 N4 O5)

Compound Name

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

SMILES

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

InChI

InChI=1S/C20H13F3N4O5/c21-20(22,23)11-3-1-2-10(6-11)17-25-16(32-26-17)4-5-27-18(28)12-7-14-15(31-9-30-14)8-13(12)24-19(27)29/h1-3,6-8H,4-5,9H2,(H,24,29)

InChI Key

IVAUACYLEPIWBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.34

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

4.383

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.34

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

20.00

E843-1063 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 E843-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1063?
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What is the minimum amount of E843-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1063
  • 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 E843-1063 available by request