L895-0065 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide

L895-0065 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide
L895-0065 Screening compound: 1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0065
1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide

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

L895-0065

Molecular Formula

C25H28N4OS (C25 H28 N4 OS)

Compound Name

1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide

IUPAC name

1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}-N-(1-phenylethyl)piperidine-3-carboxamide

SMILES

CC(c1ccccc1)NC(C(CCC1)CN1c1nccnc1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C25H28N4OS/c1-18-10-12-22(13-11-18)31-25-23(26-14-15-27-25)29-16-6-9-21(17-29)24(30)28-19(2)20-7-4-3-5-8-20/h3-5,7-8,10-15,19,21H,6,9,16-17H2,1-2H3,(H,28,30)

InChI Key

RCQJNDRPARCKPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.26

Polar Surface Area

45.089

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

L895-0065 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L895-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0065?
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What is the minimum amount of L895-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0065
  • 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 L895-0065 available by request