L895-0087 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}pyrazine

L895-0087 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}pyrazine
L895-0087 Screening compound: 2-[(4-methylphenyl)sulfanyl]-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0087
2-[(4-methylphenyl)sulfanyl]-3-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}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

L895-0087

Molecular Formula

C26H30N6OS (C26 H30 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Sc1nccnc1N(CCC1)CC1C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C26H30N6OS/c1-20-7-9-22(10-8-20)34-25-24(28-12-13-29-25)32-14-4-5-21(19-32)26(33)31-17-15-30(16-18-31)23-6-2-3-11-27-23/h2-3,6-13,21H,4-5,14-19H2,1H3/t21-/m0/s1

InChI Key

KARICRPQTUFTLI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27484868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.23

Polar Surface Area

49.933

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

L895-0087 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L895-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0087?
Check Price and Availability of L895-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L895-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0087
  • 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 L895-0087 available by request