L981-0419 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

L981-0419 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide
L981-0419 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0419
N-(3-chloro-4-methoxyphenyl)-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

L981-0419

Molecular Formula

C23H23ClFN5O2S (C23 H23 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(CSc1nccnc1N(CC1)CCN1c(cc1)ccc1F)=O)c1)c1Cl

InChI

InChI=1S/C23H23ClFN5O2S/c1-32-20-7-4-17(14-19(20)24)28-21(31)15-33-23-22(26-8-9-27-23)30-12-10-29(11-13-30)18-5-2-16(25)3-6-18/h2-9,14H,10-13,15H2,1H3,(H,28,31)

InChI Key

PNEVUHAWFWCKHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.99

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

4.638

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.89

Polar Surface Area

55.620

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L981-0419 in Drug Discovery

Included in Screening Libraries

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 L981-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0419?
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What is the minimum amount of L981-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0419
  • 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 L981-0419 available by request