L895-0305 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide

L895-0305 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide
L895-0305 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0305
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]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

L895-0305

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nccnc1Sc1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H24N4O3S/c29-23(27-18-8-9-20-21(15-18)31-14-13-30-20)17-5-4-12-28(16-17)22-24(26-11-10-25-22)32-19-6-2-1-3-7-19/h1-3,6-11,15,17H,4-5,12-14,16H2,(H,27,29)/t17-/m0/s1

InChI Key

MLCYICAALVSIAL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27484896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.40

Polar Surface Area

60.427

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L895-0305 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L895-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0305?
Check Price and Availability of L895-0305, 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 L895-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0305
  • 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 L895-0305 available by request