5308-0068 Screening compound: 1-[2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-one

5308-0068 Screening compound: 1-[2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-one
5308-0068 Screening compound: 1-[2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5308-0068
1-[2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-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

5308-0068

Molecular Formula

C20H20F3NO2 (C20 H20 F3 NO2)

Compound Name

1-[2,3,5-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[235-trifluoro-4-(4-methylphenoxy)-6-(piperidin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(c(F)c(c(Oc1ccc(C)cc1)c1F)F)c1N1CCCCC1)=O

InChI

InChI=1S/C20H20F3NO2/c1-12-6-8-14(9-7-12)26-20-17(22)16(21)15(13(2)25)19(18(20)23)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3

InChI Key

GHORPNWZENPAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.43

Polar Surface Area

23.837

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5308-0068 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5308-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5308-0068?
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What is the minimum amount of 5308-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5308-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5308-0068
  • 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 5308-0068 available by request