L981-0385 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

L981-0385 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide
L981-0385 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0385
N-(2H-1,3-benzodioxol-5-yl)-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

L981-0385

Molecular Formula

C23H22FN5O3S (C23 H22 FN5 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nccnc1N(CC1)CCN1c(cc1)ccc1F)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H22FN5O3S/c24-16-1-4-18(5-2-16)28-9-11-29(12-10-28)22-23(26-8-7-25-22)33-14-21(30)27-17-3-6-19-20(13-17)32-15-31-19/h1-8,13H,9-12,14-15H2,(H,27,30)

InChI Key

RGFRTAWKWURCAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.05

Polar Surface Area

65.105

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L981-0385 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L981-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0385?
Check Price and Availability of L981-0385, 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 L981-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0385
  • 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 L981-0385 available by request