L161-0194 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

L161-0194 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide
L161-0194 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0194
N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

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

L161-0194

Molecular Formula

C21H27N3OS2 (C21 H27 N3 OS2)

Compound Name

N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

SMILES

CSc1ccc(CNC(c(cc2)cnc2SCCN2CCCCC2)=O)cc1

InChI

InChI=1S/C21H27N3OS2/c1-26-19-8-5-17(6-9-19)15-23-21(25)18-7-10-20(22-16-18)27-14-13-24-11-3-2-4-12-24/h5-10,16H,2-4,11-15H2,1H3,(H,23,25)

InChI Key

DKGWQEPOSCWAEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-3.73

Polar Surface Area

36.861

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L161-0194 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L161-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0194?
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What is the minimum amount of L161-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0194
  • 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 L161-0194 available by request