L981-0433 Screening compound: N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

L981-0433 Screening compound: N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide
L981-0433 Screening compound: N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0433
N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-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

L981-0433

Molecular Formula

C23H24FN5OS (C23 H24 FN5 OS)

Compound Name

N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-benzyl-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nccnc1N(CC1)CCN1c(cc1)ccc1F)NCc1ccccc1

InChI

InChI=1S/C23H24FN5OS/c24-19-6-8-20(9-7-19)28-12-14-29(15-13-28)22-23(26-11-10-25-22)31-17-21(30)27-16-18-4-2-1-3-5-18/h1-11H,12-17H2,(H,27,30)

InChI Key

IVYAGVRBPXYMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.97

Polar Surface Area

49.311

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L981-0433 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L981-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0433?
Check Price and Availability of L981-0433, 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 L981-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0433
  • 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 L981-0433 available by request