L895-0152 Screening compound: 2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine

L895-0152 Screening compound: 2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine
L895-0152 Screening compound: 2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0152
2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine

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

L895-0152

Molecular Formula

C28H33N5OS (C28 H33 N5 OS)

Compound Name

2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine

IUPAC name

2-{3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-3-[(4-methylphenyl)sulfanyl]pyrazine

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CCC1)CC1C(N(CC1)CCN1c1c(C)cccc1)=O

InChI

InChI=1S/C28H33N5OS/c1-21-9-11-24(12-10-21)35-27-26(29-13-14-30-27)33-15-5-7-23(20-33)28(34)32-18-16-31(17-19-32)25-8-4-3-6-22(25)2/h3-4,6,8-14,23H,5,7,15-20H2,1-2H3/t23-/m0/s1

InChI Key

KLYIQGIGSCLDPK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27484880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-5.37

Polar Surface Area

41.121

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

L895-0152 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L895-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0152?
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What is the minimum amount of L895-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0152
  • 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 L895-0152 available by request