F040-0092 Screening compound: 1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)ethan-1-one

F040-0092 Screening compound: 1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)ethan-1-one
F040-0092 Screening compound: 1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F040-0092
1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)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

F040-0092

Molecular Formula

C18H23N3O2S (C18 H23 N3 O2 S)

Compound Name

1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)ethan-1-one

IUPAC name

1-(piperidin-1-yl)-2-({3-[4-(propan-2-yl)phenyl]-124-oxadiazol-5-yl}sulfanyl)ethan-1-one

SMILES

CC(C)c(cc1)ccc1-c1noc(SCC(N2CCCCC2)=O)n1

InChI

InChI=1S/C18H23N3O2S/c1-13(2)14-6-8-15(9-7-14)17-19-18(23-20-17)24-12-16(22)21-10-4-3-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3

InChI Key

LLVFVJCHIDBSSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.19

Polar Surface Area

47.618

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F040-0092 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F040-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F040-0092?
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What is the minimum amount of F040-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F040-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F040-0092
  • 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 F040-0092 available by request