F117-0297 Screening compound: 1-allyl-4-{1-[(2-chlorophenyl)sulfonyl]-4-piperidyl}tetrahydro-2,3-pyrazinedione

F117-0297 Screening compound: 1-allyl-4-{1-[(2-chlorophenyl)sulfonyl]-4-piperidyl}tetrahydro-2,3-pyrazinedione
F117-0297 Screening compound: 1-allyl-4-{1-[(2-chlorophenyl)sulfonyl]-4-piperidyl}tetrahydro-2,3-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound F117-0297
1-allyl-4-{1-[(2-chlorophenyl)sulfonyl]-4-piperidyl}tetrahydro-2,3-pyrazinedione

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

F117-0297

Molecular Formula

C18H22ClN3O4S (C18 H22 ClN3 O4 S)

Compound Name

1-allyl-4-{1-[(2-chlorophenyl)sulfonyl]-4-piperidyl}tetrahydro-2,3-pyrazinedione

IUPAC name

1-[1-(2-chlorobenzenesulfonyl)piperidin-4-yl]-4-(prop-2-en-1-yl)piperazine-23-dione

SMILES

C=CCN(CCN(C(CC1)CCN1S(c(cccc1)c1Cl)(=O)=O)C1=O)C1=O

InChI

InChI=1S/C18H22ClN3O4S/c1-2-9-20-12-13-22(18(24)17(20)23)14-7-10-21(11-8-14)27(25,26)16-6-4-3-5-15(16)19/h2-6,14H,1,7-13H2

InChI Key

CFOHIFBJBIWYAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

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

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.52

Polar Surface Area

64.439

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

F117-0297 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F117-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F117-0297?
Check Price and Availability of F117-0297, 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 F117-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F117-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F117-0297
  • 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 F117-0297 available by request