L161-0118 Screening compound: 1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine

L161-0118 Screening compound: 1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine
L161-0118 Screening compound: 1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0118
1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine

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

L161-0118

Molecular Formula

C24H32N4O2S (C24 H32 N4 O2 S)

Compound Name

1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine

IUPAC name

1-(4-methoxyphenyl)-4-(6-{[2-(piperidin-1-yl)ethyl]sulfanyl}pyridine-3-carbonyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(cc1)cnc1SCCN1CCCCC1)=O

InChI

InChI=1S/C24H32N4O2S/c1-30-22-8-6-21(7-9-22)27-13-15-28(16-14-27)24(29)20-5-10-23(25-19-20)31-18-17-26-11-3-2-4-12-26/h5-10,19H,2-4,11-18H2,1H3

InChI Key

FVLKLLZWJOBUDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-3.25

Polar Surface Area

39.900

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L161-0118 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L161-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0118?
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What is the minimum amount of L161-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0118
  • 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 L161-0118 available by request