C862-0263 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

C862-0263 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide
C862-0263 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-0263
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

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

C862-0263

Molecular Formula

C22H26ClN5O2S (C22 H26 ClN5 O2 S)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}acetamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCNC(CN2c(cccn3)c3SCC2=O)=O)CC1

InChI

InChI=1S/C22H26ClN5O2S/c1-16-4-5-17(23)13-19(16)27-11-9-26(10-12-27)8-7-24-20(29)14-28-18-3-2-6-25-22(18)31-15-21(28)30/h2-6,13H,7-12,14-15H2,1H3,(H,24,29)

InChI Key

VYVVBKSNIVDOGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460

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

2.411

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-3.23

Polar Surface Area

57.926

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C862-0263 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C862-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C862-0263?
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What is the minimum amount of C862-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-0263
  • 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 C862-0263 available by request