F116-0298 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-2,3-dione

F116-0298 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-2,3-dione
F116-0298 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F116-0298
1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-2,3-dione

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

F116-0298

Molecular Formula

C24H26FN3O3S (C24 H26 FN3 O3 S)

Compound Name

1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-2,3-dione

IUPAC name

1-[(4-fluorophenyl)methyl]-4-{1-[2-(phenylsulfanyl)acetyl]piperidin-4-yl}piperazine-23-dione

SMILES

O=C(CSc1ccccc1)N(CC1)CCC1N(CCN(Cc(cc1)ccc1F)C1=O)C1=O

InChI

InChI=1S/C24H26FN3O3S/c25-19-8-6-18(7-9-19)16-27-14-15-28(24(31)23(27)30)20-10-12-26(13-11-20)22(29)17-32-21-4-2-1-3-5-21/h1-9,20H,10-17H2

InChI Key

YBXWIELRIJLMMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-2.76

Polar Surface Area

48.599

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F116-0298 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F116-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F116-0298?
Check Price and Availability of F116-0298, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F116-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F116-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F116-0298
  • 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 F116-0298 available by request