L161-0046 Screening compound: N-(4-ethoxyphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

L161-0046 Screening compound: N-(4-ethoxyphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide
L161-0046 Screening compound: N-(4-ethoxyphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0046
N-(4-ethoxyphenyl)-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

L161-0046

Molecular Formula

C21H27N3O2S (C21 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(c(cc1)cnc1SCCN1CCCCC1)=O

InChI

InChI=1S/C21H27N3O2S/c1-2-26-19-9-7-18(8-10-19)23-21(25)17-6-11-20(22-16-17)27-15-14-24-12-4-3-5-13-24/h6-11,16H,2-5,12-15H2,1H3,(H,23,25)

InChI Key

GSEOKPDUTFOFNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-3.65

Polar Surface Area

42.663

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L161-0046 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L161-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0046?
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What is the minimum amount of L161-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0046
  • 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 L161-0046 available by request