L895-0345 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

L895-0345 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide
L895-0345 Screening compound: 1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0345
1-[3-(phenylsulfanyl)pyrazin-2-yl]-N-{[2-(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

L895-0345

Molecular Formula

C24H23F3N4OS (C24 H23 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1c1nccnc1Sc1ccccc1)NCc1c(C(F)(F)F)cccc1

InChI

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

InChI Key

ZVRUVCFDCCTLFO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27484901

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

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.69

Polar Surface Area

45.926

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L895-0345 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L895-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0345?
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What is the minimum amount of L895-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0345
  • 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 L895-0345 available by request