F117-0249 Screening compound: N-[4-({4-[2,3-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

F117-0249 Screening compound: N-[4-({4-[2,3-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide
F117-0249 Screening compound: N-[4-({4-[2,3-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F117-0249
N-[4-({4-[2,3-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

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

F117-0249

Molecular Formula

C20H26N4O5S (C20 H26 N4 O5 S)

Compound Name

N-[4-({4-[2,3-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

IUPAC name

N-[4-({4-[23-dioxo-4-(prop-2-en-1-yl)piperazin-1-yl]piperidin-1-yl}sulfonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(N(CC1)CCC1N(CCN(CC=C)C1=O)C1=O)(=O)=O)=O

InChI

InChI=1S/C20H26N4O5S/c1-3-10-22-13-14-24(20(27)19(22)26)17-8-11-23(12-9-17)30(28,29)18-6-4-16(5-7-18)21-15(2)25/h3-7,17H,1,8-14H2,2H3,(H,21,25)

InChI Key

KQGFRQOSQAPKGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.36

Polar Surface Area

87.701

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F117-0249 in Drug Discovery

Included in Screening Libraries

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

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 F117-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F117-0249?
Check Price and Availability of F117-0249, 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 F117-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F117-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F117-0249
  • 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 F117-0249 available by request