L981-0661 Screening compound: N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide

L981-0661 Screening compound: N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide
L981-0661 Screening compound: N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0661
N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide

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

L981-0661

Molecular Formula

C23H22N6OS (C23 H22 N6 OS)

Compound Name

N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-cyanophenyl)-2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamide

SMILES

N#Cc1cccc(NC(CSc2nccnc2N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C23H22N6OS/c24-16-18-5-4-6-19(15-18)27-21(30)17-31-23-22(25-9-10-26-23)29-13-11-28(12-14-29)20-7-2-1-3-8-20/h1-10,15H,11-14,17H2,(H,27,30)

InChI Key

UWHYMAPAANEAKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.09

Polar Surface Area

65.045

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L981-0661 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 L981-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0661?
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What is the minimum amount of L981-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0661
  • 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 L981-0661 available by request