L981-0394 Screening compound: ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

L981-0394 Screening compound: ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
L981-0394 Screening compound: ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0394
ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

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

L981-0394

Molecular Formula

C25H26FN5O3S (C25 H26 FN5 O3 S)

Compound Name

ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1nccnc1N(CC1)CCN1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H26FN5O3S/c1-2-34-25(33)20-5-3-4-6-21(20)29-22(32)17-35-24-23(27-11-12-28-24)31-15-13-30(14-16-31)19-9-7-18(26)8-10-19/h3-12H,2,13-17H2,1H3,(H,29,32)

InChI Key

HWZLWBRRWVVBKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.18

Polar Surface Area

68.045

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L981-0394 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 L981-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0394?
Check Price and Availability of L981-0394, 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 L981-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0394
  • 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 L981-0394 available by request