L981-0939 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide

L981-0939 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
L981-0939 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0939
2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]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

L981-0939

Molecular Formula

C25H27FN4OS (C25 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nccnc1N1CCC(Cc2ccccc2)CC1)NCc(cc1)ccc1F

InChI

InChI=1S/C25H27FN4OS/c26-22-8-6-21(7-9-22)17-29-23(31)18-32-25-24(27-12-13-28-25)30-14-10-20(11-15-30)16-19-4-2-1-3-5-19/h1-9,12-13,20H,10-11,14-18H2,(H,29,31)

InChI Key

ORQHXURNAUARLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.89

Polar Surface Area

45.779

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L981-0939 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L981-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0939?
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What is the minimum amount of L981-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0939
  • 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 L981-0939 available by request