L161-0039 Screening compound: N-[(furan-2-yl)methyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

L161-0039 Screening compound: N-[(furan-2-yl)methyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide
L161-0039 Screening compound: N-[(furan-2-yl)methyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0039
N-[(furan-2-yl)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

L161-0039

Molecular Formula

C18H23N3O2S (C18 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cnc1SCCN1CCCCC1)NCc1ccco1

InChI

InChI=1S/C18H23N3O2S/c22-18(20-14-16-5-4-11-23-16)15-6-7-17(19-13-15)24-12-10-21-8-2-1-3-9-21/h4-7,11,13H,1-3,8-10,12,14H2,(H,20,22)

InChI Key

LNRXXRYTONTDPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-3.17

Polar Surface Area

44.610

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L161-0039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L161-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0039?
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What is the minimum amount of L161-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0039
  • 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 L161-0039 available by request