E594-0066 Screening compound: 6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

E594-0066 Screening compound: 6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
E594-0066 Screening compound: 6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0066
6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

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

E594-0066

Molecular Formula

C17H8BrFN2O3 (C17 H8 BrFN2 O3)

Compound Name

6-bromo-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

IUPAC name

6-bromo-3-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-2H-chromen-2-one

SMILES

O=C1Oc(ccc(Br)c2)c2C=C1c1nc(-c(cccc2)c2F)no1

InChI

InChI=1S/C17H8BrFN2O3/c18-10-5-6-14-9(7-10)8-12(17(22)23-14)16-20-15(21-24-16)11-3-1-2-4-13(11)19/h1-8H

InChI Key

WHNKMJFQQKDRIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.65

Polar Surface Area

52.566

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-10.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with E594-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0066?
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What is the minimum amount of E594-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0066
  • 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 E594-0066 available by request