S752-0064 Screening compound: N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]methanesulfonamide

S752-0064 Screening compound: N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]methanesulfonamide
S752-0064 Screening compound: N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-0064
N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]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

S752-0064

Molecular Formula

C21H32N2O4S (C21 H32 N2 O4 S)

Compound Name

N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]methanesulfonamide

IUPAC name

N-[2-(4-{[1-(oxane-4-carbonyl)piperidin-4-yl]methyl}phenyl)ethyl]methanesulfonamide

SMILES

CS(NCCc1ccc(CC(CC2)CCN2C(C2CCOCC2)=O)cc1)(=O)=O

InChI

InChI=1S/C21H32N2O4S/c1-28(25,26)22-11-6-17-2-4-18(5-3-17)16-19-7-12-23(13-8-19)21(24)20-9-14-27-15-10-20/h2-5,19-20,22H,6-16H2,1H3

InChI Key

MMVLQGSWPBIGLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-2.84

Polar Surface Area

67.533

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S752-0064 in Drug Discovery

Included in Screening Libraries

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

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 S752-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-0064?
Check Price and Availability of S752-0064, 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 S752-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-0064
  • 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 S752-0064 available by request