S829-2291 Screening compound: {4,4-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

S829-2291 Screening compound: {4,4-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl}methanol
S829-2291 Screening compound: {4,4-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2291
{4,4-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

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

S829-2291

Molecular Formula

C17H21F3N2O2 (C17 H21 F3 N2 O2)

Compound Name

{4,4-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

IUPAC name

[(2S)-44-difluoro-1-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrrolidin-2-yl]methanol

SMILES

OC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c(cccc1)c1F)=O

InChI

InChI=1S/C17H21F3N2O2/c18-15-4-2-1-3-14(15)16(24)21-7-5-12(6-8-21)22-11-17(19,20)9-13(22)10-23/h1-4,12-13,23H,5-11H2/t13-/m0/s1

InChI Key

MUQNTBGIXSKLIM-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-2.79

Polar Surface Area

37.041

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S829-2291 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S829-2291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2291?
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What is the minimum amount of S829-2291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2291
  • 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 S829-2291 available by request