F040-0040 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]ethan-1-one

F040-0040 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]ethan-1-one
F040-0040 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F040-0040
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]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

F040-0040

Molecular Formula

C20H19FN4O2S (C20 H19 FN4 O2 S)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]ethan-1-one

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(3-phenyl-124-oxadiazol-5-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSc1nc(-c2ccccc2)no1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C20H19FN4O2S/c21-16-8-4-5-9-17(16)24-10-12-25(13-11-24)18(26)14-28-20-22-19(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2

InChI Key

LKOFOGQTFVGPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.05

Polar Surface Area

50.578

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F040-0040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F040-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F040-0040?
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What is the minimum amount of F040-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F040-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F040-0040
  • 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 F040-0040 available by request