8017-1353 Screening compound: 4-fluorophenyl ({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl) ether

8017-1353 Screening compound: 4-fluorophenyl ({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl) ether
8017-1353 Screening compound: 4-fluorophenyl ({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1353
4-fluorophenyl ({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl) ether

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

8017-1353

Molecular Formula

C16H10F4N2O2 (C16 H10 F4 N2 O2)

Compound Name

4-fluorophenyl ({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl) ether

IUPAC name

5-[(4-fluorophenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

FC(c(cc1)ccc1-c1noc(COc(cc2)ccc2F)n1)(F)F

InChI

InChI=1S/C16H10F4N2O2/c17-12-5-7-13(8-6-12)23-9-14-21-15(22-24-14)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2

InChI Key

PPMZUJUKVKKXEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-5.02

Polar Surface Area

38.809

Acid Dissociation Constant (pKa)

31.04

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8017-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1353?
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What is the minimum amount of 8017-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1353
  • 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 8017-1353 available by request