S688-0668 Screening compound: N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

S688-0668 Screening compound: N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide
S688-0668 Screening compound: N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0668
N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

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

S688-0668

Molecular Formula

C17H23N3O4S (C17 H23 N3 O4 S)

Compound Name

N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

IUPAC name

N-[1-(4-cyanobenzoyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

SMILES

COCCC(CC1)(CCN1C(c(cc1)ccc1C#N)=O)NS(C)(=O)=O

InChI

InChI=1S/C17H23N3O4S/c1-24-12-9-17(19-25(2,22)23)7-10-20(11-8-17)16(21)15-5-3-14(13-18)4-6-15/h3-6,19H,7-12H2,1-2H3

InChI Key

HEQQOVRXPHMUDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.206

Distribution Coefficient, logD

0.206

Water Solubility, LogSw

-2.18

Polar Surface Area

85.325

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

S688-0668 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0668?
Check Price and Availability of S688-0668, 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 S688-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0668
  • 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 S688-0668 available by request