Y206-2877 Screening compound: 4-(2-methylbenzyl)-N~1~-[3-(methylsulfanyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y206-2877 Screening compound: 4-(2-methylbenzyl)-N~1~-[3-(methylsulfanyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y206-2877 Screening compound: 4-(2-methylbenzyl)-N~1~-[3-(methylsulfanyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-2877
4-(2-methylbenzyl)-N~1~-[3-(methylsulfanyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

Y206-2877

Molecular Formula

C20H25N3OS (C20 H25 N3 OS)

Compound Name

4-(2-methylbenzyl)-N~1~-[3-(methylsulfanyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-[(2-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

SMILES

Cc1c(CN(CC2)CCN2C(Nc2cccc(SC)c2)=O)cccc1

InChI

InChI=1S/C20H25N3OS/c1-16-6-3-4-7-17(16)15-22-10-12-23(13-11-22)20(24)21-18-8-5-9-19(14-18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)

InChI Key

XUYIRZKDONVIJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.03

Polar Surface Area

29.248

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y206-2877 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y206-2877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-2877?
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What is the minimum amount of Y206-2877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-2877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-2877
  • 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 Y206-2877 available by request