L894-0189 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

L894-0189 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
L894-0189 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0189
1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-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

L894-0189

Molecular Formula

C24H34N6OS (C24 H34 N6 OS)

Compound Name

1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CC1)CCC1C(NCCN1CCN(C)CC1)=O

InChI

InChI=1S/C24H34N6OS/c1-19-3-5-21(6-4-19)32-24-22(25-9-10-27-24)30-12-7-20(8-13-30)23(31)26-11-14-29-17-15-28(2)16-18-29/h3-6,9-10,20H,7-8,11-18H2,1-2H3,(H,26,31)

InChI Key

CPOILALWNVVYLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-3.07

Polar Surface Area

53.293

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

L894-0189 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L894-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0189?
Check Price and Availability of L894-0189, 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 L894-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0189
  • 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 L894-0189 available by request