L895-0779 Screening compound: N-(4-bromophenyl)-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

L895-0779 Screening compound: N-(4-bromophenyl)-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide
L895-0779 Screening compound: N-(4-bromophenyl)-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L895-0779
N-(4-bromophenyl)-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

L895-0779

Molecular Formula

C23H23BrN4OS (C23 H23 BrN4 OS)

Compound Name

N-(4-bromophenyl)-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

IUPAC name

N-(4-bromophenyl)-1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-3-carboxamide

SMILES

Cc1cccc(Sc2nccnc2N(CCC2)CC2C(Nc(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C23H23BrN4OS/c1-16-4-2-6-20(14-16)30-23-21(25-11-12-26-23)28-13-3-5-17(15-28)22(29)27-19-9-7-18(24)8-10-19/h2,4,6-12,14,17H,3,5,13,15H2,1H3,(H,27,29)/t17-/m0/s1

InChI Key

VEHOPIJYDCMUEB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27484939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.307

Water Solubility, LogSw

-5.20

Polar Surface Area

44.604

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L895-0779 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 L895-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L895-0779?
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What is the minimum amount of L895-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L895-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L895-0779
  • 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 L895-0779 available by request