L898-0279 Screening compound: 2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

L898-0279 Screening compound: 2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
L898-0279 Screening compound: 2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-0279
2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

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

L898-0279

Molecular Formula

C16H17N3OS2 (C16 H17 N3 OS2)

Compound Name

2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(CSc1nccnc1Sc1ccccc1)N1CCCC1

InChI

InChI=1S/C16H17N3OS2/c20-14(19-10-4-5-11-19)12-21-15-16(18-9-8-17-15)22-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2

InChI Key

LFBYSEDRLVTOEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.18

Polar Surface Area

34.812

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

L898-0279 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L898-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-0279?
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What is the minimum amount of L898-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-0279
  • 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 L898-0279 available by request