L981-0397 Screening compound: ethyl 4-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate

L981-0397 Screening compound: ethyl 4-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
L981-0397 Screening compound: ethyl 4-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0397
ethyl 4-[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

L981-0397

Molecular Formula

C25H26FN5O3S (C25 H26 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1nccnc1N(CC1)CCN1c(cc1)ccc1F)=O)=O

InChI

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

InChI Key

ORFRWRSPIVFORH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635707

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

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.38

Polar Surface Area

68.743

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L981-0397 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 L981-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0397?
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What is the minimum amount of L981-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0397
  • 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 L981-0397 available by request