S632-5058 Screening compound: 4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine

S632-5058 Screening compound: 4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine
S632-5058 Screening compound: 4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-5058
4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine

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

S632-5058

Molecular Formula

C17H25FN2O2S (C17 H25 FN2 O2 S)

Compound Name

4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine

IUPAC name

4-{1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl}-1-methanesulfonylpiperidine

SMILES

CS(N(CC1)CCC1C1CN(Cc2cc(F)ccc2)CC1)(=O)=O

InChI

InChI=1S/C17H25FN2O2S/c1-23(21,22)20-9-6-15(7-10-20)16-5-8-19(13-16)12-14-3-2-4-17(18)11-14/h2-4,11,15-16H,5-10,12-13H2,1H3/t16-/m0/s1

InChI Key

OPNWTKWDPMPSDD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29013048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

1.637

Water Solubility, LogSw

-2.62

Polar Surface Area

35.474

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

S632-5058 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with S632-5058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-5058?
Check Price and Availability of S632-5058, 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 S632-5058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-5058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-5058
  • 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 S632-5058 available by request