S829-2188 Screening compound: {4,4-difluoro-1-[1-(furan-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

S829-2188 Screening compound: {4,4-difluoro-1-[1-(furan-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol
S829-2188 Screening compound: {4,4-difluoro-1-[1-(furan-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2188
{4,4-difluoro-1-[1-(furan-3-carbonyl)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

S829-2188

Molecular Formula

C15H20F2N2O3 (C15 H20 F2 N2 O3)

Compound Name

{4,4-difluoro-1-[1-(furan-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

IUPAC name

[(2S)-44-difluoro-1-[1-(furan-3-carbonyl)piperidin-4-yl]pyrrolidin-2-yl]methanol

SMILES

OC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c1cocc1)=O

InChI

InChI=1S/C15H20F2N2O3/c16-15(17)7-13(8-20)19(10-15)12-1-4-18(5-2-12)14(21)11-3-6-22-9-11/h3,6,9,12-13,20H,1-2,4-5,7-8,10H2/t13-/m1/s1

InChI Key

NVCFJDSNKQBNRR-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.71

Polar Surface Area

44.844

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S829-2188 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S829-2188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2188?
Check Price and Availability of S829-2188, 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 S829-2188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2188
  • 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 S829-2188 available by request