L161-0075 Screening compound: N-(3,4-dimethylphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

L161-0075 Screening compound: N-(3,4-dimethylphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide
L161-0075 Screening compound: N-(3,4-dimethylphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0075
N-(3,4-dimethylphenyl)-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

L161-0075

Molecular Formula

C21H27N3OS (C21 H27 N3 OS)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(c(cc1)cnc1SCCN1CCCCC1)=O

InChI

InChI=1S/C21H27N3OS/c1-16-6-8-19(14-17(16)2)23-21(25)18-7-9-20(22-15-18)26-13-12-24-10-4-3-5-11-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,25)

InChI Key

HHMWCYUHWVZMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.96

Polar Surface Area

35.539

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L161-0075 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L161-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0075?
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What is the minimum amount of L161-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0075
  • 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 L161-0075 available by request