L161-0326 Screening compound: {6-[(2-morpholinoethyl)sulfanyl]-3-pyridyl}[4-(2-pyridyl)piperazino]methanone

L161-0326 Screening compound: {6-[(2-morpholinoethyl)sulfanyl]-3-pyridyl}[4-(2-pyridyl)piperazino]methanone
L161-0326 Screening compound: {6-[(2-morpholinoethyl)sulfanyl]-3-pyridyl}[4-(2-pyridyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0326
{6-[(2-morpholinoethyl)sulfanyl]-3-pyridyl}[4-(2-pyridyl)piperazino]methanone

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

L161-0326

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

{6-[(2-morpholinoethyl)sulfanyl]-3-pyridyl}[4-(2-pyridyl)piperazino]methanone

IUPAC name

4-[2-({5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyridin-2-yl}sulfanyl)ethyl]morpholine

SMILES

O=C(c(cc1)cnc1SCCN1CCOCC1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H27N5O2S/c27-21(26-9-7-25(8-10-26)19-3-1-2-6-22-19)18-4-5-20(23-17-18)29-16-13-24-11-14-28-15-12-24/h1-6,17H,7-16H2

InChI Key

BIEBBZFYWHBXDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.680

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-1.89

Polar Surface Area

48.776

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

L161-0326 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L161-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0326?
Check Price and Availability of L161-0326, 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 L161-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0326
  • 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 L161-0326 available by request