S829-1729 Screening compound: {4,4-difluoro-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

S829-1729 Screening compound: {4,4-difluoro-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol
S829-1729 Screening compound: {4,4-difluoro-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-1729
{4,4-difluoro-1-[1-(5-fluoropyridine-2-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

S829-1729

Molecular Formula

C16H20F3N3O2 (C16 H20 F3 N3 O2)

Compound Name

{4,4-difluoro-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]pyrrolidin-2-yl}methanol

IUPAC name

[(2S)-44-difluoro-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]pyrrolidin-2-yl]methanol

SMILES

OC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c(cc1)ncc1F)=O

InChI

InChI=1S/C16H20F3N3O2/c17-11-1-2-14(20-8-11)15(24)21-5-3-12(4-6-21)22-10-16(18,19)7-13(22)9-23/h1-2,8,12-13,23H,3-7,9-10H2/t13-/m0/s1

InChI Key

PFGLAISHIUHOKS-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.35

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

1.597

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.70

Polar Surface Area

46.178

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S829-1729 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 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 S829-1729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-1729?
Check Price and Availability of S829-1729, 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 S829-1729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-1729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-1729
  • 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 S829-1729 available by request