S690-2083 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine

S690-2083 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine
S690-2083 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-2083
1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine

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

S690-2083

Molecular Formula

C20H30N2O3S (C20 H30 N2 O3 S)

Compound Name

1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine

IUPAC name

1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2-methylpiperidine

SMILES

CC(CCCC1)N1C(c1ccc(CC(CC2)CCN2S(C)(=O)=O)cc1)=O

InChI

InChI=1S/C20H30N2O3S/c1-16-5-3-4-12-22(16)20(23)19-8-6-17(7-9-19)15-18-10-13-21(14-11-18)26(2,24)25/h6-9,16,18H,3-5,10-15H2,1-2H3/t16-/m0/s1

InChI Key

LBQKTRBIIUGJHW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32225723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.26

Polar Surface Area

47.375

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S690-2083 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 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 S690-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-2083?
Check Price and Availability of S690-2083, 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 S690-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-2083
  • 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 S690-2083 available by request