L161-0115 Screening compound: {6-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE

L161-0115 Screening compound: {6-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE
L161-0115 Screening compound: {6-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0115
{6-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}[4-(2-PYRIMIDINYL)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

L161-0115

Molecular Formula

C21H28N6OS (C21 H28 N6 OS)

Compound Name

{6-[(2-PIPERIDINOETHYL)SULFANYL]-3-PYRIDYL}[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE

IUPAC name

n/a

SMILES

O=C(c(cc1)cnc1SCCN1CCCCC1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C21H28N6OS/c28-20(26-11-13-27(14-12-26)21-22-7-4-8-23-21)18-5-6-19(24-17-18)29-16-15-25-9-2-1-3-10-25/h4-8,17H,1-3,9-16H2

InChI Key

XENVHBFRWLDNFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

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

2.284

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-2.31

Polar Surface Area

50.719

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

L161-0115 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L161-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0115?
Check Price and Availability of L161-0115, 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 L161-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0115
  • 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 L161-0115 available by request