D216-0158 Screening compound: 2-(1-methanesulfonylpiperidin-4-yl)-1,3-benzothiazole

D216-0158 Screening compound: 2-(1-methanesulfonylpiperidin-4-yl)-1,3-benzothiazole
D216-0158 Screening compound: 2-(1-methanesulfonylpiperidin-4-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0158
2-(1-methanesulfonylpiperidin-4-yl)-1,3-benzothiazole

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

D216-0158

Molecular Formula

C13H16N2O2S2 (C13 H16 N2 O2 S2)

Compound Name

2-(1-methanesulfonylpiperidin-4-yl)-1,3-benzothiazole

IUPAC name

2-(1-methanesulfonylpiperidin-4-yl)-13-benzothiazole

SMILES

CS(N(CC1)CCC1c1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C13H16N2O2S2/c1-19(16,17)15-8-6-10(7-9-15)13-14-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3

InChI Key

XWARDGGJXCMXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03860328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-2.64

Polar Surface Area

41.162

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D216-0158 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0158?
Check Price and Availability of D216-0158, 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 D216-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0158
  • 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 D216-0158 available by request