L161-0184 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

L161-0184 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide
L161-0184 Screening compound: N-[2-(4-methylpiperazin-1-yl)ethyl]-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0184
N-[2-(4-methylpiperazin-1-yl)ethyl]-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

L161-0184

Molecular Formula

C20H33N5OS (C20 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CN1CCN(CCNC(c(cc2)cnc2SCCN2CCCCC2)=O)CC1

InChI

InChI=1S/C20H33N5OS/c1-23-11-13-25(14-12-23)10-7-21-20(26)18-5-6-19(22-17-18)27-16-15-24-8-3-2-4-9-24/h5-6,17H,2-4,7-16H2,1H3,(H,21,26)

InChI Key

MTJOOEXSHBFRTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.159

Distribution Coefficient, logD

-0.260

Water Solubility, LogSw

-2.09

Polar Surface Area

44.162

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

L161-0184 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L161-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0184?
Check Price and Availability of L161-0184, 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 L161-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0184
  • 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 L161-0184 available by request