L895-0117 Screening compound: ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate

L895-0117 Screening compound: ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate
L895-0117 Screening compound: ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0117
ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate

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

L895-0117

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate

IUPAC name

ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-3-yl)formamido]propanoate

SMILES

CCOC(CCNC(C(CCC1)CN1c1nccnc1Sc1ccc(C)cc1)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.31

Polar Surface Area

66.198

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

L895-0117 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 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 L895-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0117?
Check Price and Availability of L895-0117, 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 L895-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0117
  • 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 L895-0117 available by request