C858-0866 Screening compound: (2-PIPERIDINO-1,3-BENZOTHIAZOL-6-YL)[4-(2-PYRIDYL)PIPERAZINO]METHANONE

C858-0866 Screening compound: (2-PIPERIDINO-1,3-BENZOTHIAZOL-6-YL)[4-(2-PYRIDYL)PIPERAZINO]METHANONE
C858-0866 Screening compound: (2-PIPERIDINO-1,3-BENZOTHIAZOL-6-YL)[4-(2-PYRIDYL)PIPERAZINO]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0866
(2-PIPERIDINO-1,3-BENZOTHIAZOL-6-YL)[4-(2-PYRIDYL)PIPERAZINO]METHANONE

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

C858-0866

Molecular Formula

C22H25N5OS (C22 H25 N5 OS)

Compound Name

(2-PIPERIDINO-1,3-BENZOTHIAZOL-6-YL)[4-(2-PYRIDYL)PIPERAZINO]METHANONE

IUPAC name

2-(piperidin-1-yl)-6-[4-(pyridin-2-yl)piperazine-1-carbonyl]-13-benzothiazole

SMILES

O=C(c(cc1)cc2c1nc(N1CCCCC1)s2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C22H25N5OS/c28-21(26-14-12-25(13-15-26)20-6-2-3-9-23-20)17-7-8-18-19(16-17)29-22(24-18)27-10-4-1-5-11-27/h2-3,6-9,16H,1,4-5,10-15H2

InChI Key

WWXGUANLVAIXOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.29

Polar Surface Area

41.646

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

C858-0866 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C858-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0866?
Check Price and Availability of C858-0866, 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 C858-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0866
  • 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 C858-0866 available by request