E843-1403 Screening compound: 7-(3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione

E843-1403 Screening compound: 7-(3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
E843-1403 Screening compound: 7-(3-{3-[4-(trifluoromethyl)phenyl]-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 E843-1403
7-(3-{3-[4-(trifluoromethyl)phenyl]-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

E843-1403

Molecular Formula

C21H15F3N4O5 (C21 H15 F3 N4 O5)

Compound Name

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

SMILES

O=C(c(cc1OCOc1c1)c1N1)N(CCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1=O

InChI

InChI=1S/C21H15F3N4O5/c22-21(23,24)12-5-3-11(4-6-12)18-26-17(33-27-18)2-1-7-28-19(29)13-8-15-16(32-10-31-15)9-14(13)25-20(28)30/h3-6,8-9H,1-2,7,10H2,(H,25,30)

InChI Key

JXINYUUSYFFLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.37

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

References: we are preparing a list of scientific research reports with E843-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-1403?
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What is the minimum amount of E843-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-1403
  • 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 E843-1403 available by request