S632-4948 Screening compound: 2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one

S632-4948 Screening compound: 2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one
S632-4948 Screening compound: 2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4948
2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one

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

S632-4948

Molecular Formula

C14H26N2O4S (C14 H26 N2 O4 S)

Compound Name

2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-ethoxy-1-[3-(1-methanesulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

CCOCC(N(CC1)CC1C(CC1)CCN1S(C)(=O)=O)=O

InChI

InChI=1S/C14H26N2O4S/c1-3-20-11-14(17)15-7-4-13(10-15)12-5-8-16(9-6-12)21(2,18)19/h12-13H,3-11H2,1-2H3/t13-/m0/s1

InChI Key

JZXQLXWDIHOWBG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29013006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.277

Distribution Coefficient, logD

0.277

Water Solubility, LogSw

-1.27

Polar Surface Area

56.192

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.90

S632-4948 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S632-4948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4948?
Check Price and Availability of S632-4948, 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 S632-4948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4948
  • 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 S632-4948 available by request