L894-0312 Screening compound: N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide

L894-0312 Screening compound: N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide
L894-0312 Screening compound: N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0312
N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-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

L894-0312

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide

SMILES

CCOc(cccc1)c1NC(C(CC1)CCN1c1nccnc1Sc1ccccc1)=O

InChI

InChI=1S/C24H26N4O2S/c1-2-30-21-11-7-6-10-20(21)27-23(29)18-12-16-28(17-13-18)22-24(26-15-14-25-22)31-19-8-4-3-5-9-19/h3-11,14-15,18H,2,12-13,16-17H2,1H3,(H,27,29)

InChI Key

YMFDHIFJDQIHAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.22

Polar Surface Area

51.183

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L894-0312 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L894-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0312?
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What is the minimum amount of L894-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0312
  • 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 L894-0312 available by request