L895-0346 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

L895-0346 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide
L895-0346 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0346
1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}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

L895-0346

Molecular Formula

C24H23F3N4OS (C24 H23 F3 N4 OS)

Compound Name

1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

IUPAC name

1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nccnc1Sc1ccccc1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H23F3N4OS/c25-24(26,27)19-8-4-6-17(14-19)15-30-22(32)18-7-5-13-31(16-18)21-23(29-12-11-28-21)33-20-9-2-1-3-10-20/h1-4,6,8-12,14,18H,5,7,13,15-16H2,(H,30,32)/t18-/m0/s1

InChI Key

MGADGGBFDVHXEK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27484902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.31

Polar Surface Area

45.926

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L895-0346 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 L895-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0346?
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What is the minimum amount of L895-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0346
  • 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 L895-0346 available by request