F117-0044 Screening compound: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione

F117-0044 Screening compound: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
F117-0044 Screening compound: 1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F117-0044
1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]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

F117-0044

Molecular Formula

C22H24FN3O4S (C22 H24 FN3 O4 S)

Compound Name

1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione

IUPAC name

1-[1-(benzenesulfonyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-23-dione

SMILES

O=C1N(Cc2cc(F)ccc2)CCN(C(CC2)CCN2S(c2ccccc2)(=O)=O)C1=O

InChI

InChI=1S/C22H24FN3O4S/c23-18-6-4-5-17(15-18)16-24-13-14-26(22(28)21(24)27)19-9-11-25(12-10-19)31(29,30)20-7-2-1-3-8-20/h1-8,15,19H,9-14,16H2

InChI Key

VITIIYDDHKWCEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.445

Distribution Coefficient, logD

2.445

Water Solubility, LogSw

-2.76

Polar Surface Area

64.189

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F117-0044 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F117-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F117-0044?
Check Price and Availability of F117-0044, 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 F117-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F117-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F117-0044
  • 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 F117-0044 available by request