L895-0668 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

L895-0668 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide
L895-0668 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0668
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]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

L895-0668

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

SMILES

Cc1cccc(Sc2nccnc2N(CCC2)CC2C(NCc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C25H26N4O3S/c1-17-4-2-6-20(12-17)33-25-23(26-9-10-27-25)29-11-3-5-19(15-29)24(30)28-14-18-7-8-21-22(13-18)32-16-31-21/h2,4,6-10,12-13,19H,3,5,11,14-16H2,1H3,(H,28,30)/t19-/m0/s1

InChI Key

FJKZKUGBBSAATL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27484922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.12

Polar Surface Area

63.042

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L895-0668 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 L895-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0668?
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What is the minimum amount of L895-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0668
  • 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 L895-0668 available by request