8020-3580 Screening compound: 5-methyl-2-[2-(3-pyridyl)piperidino]-4,5-dihydro-1,3-thiazole

8020-3580 Screening compound: 5-methyl-2-[2-(3-pyridyl)piperidino]-4,5-dihydro-1,3-thiazole
8020-3580 Screening compound: 5-methyl-2-[2-(3-pyridyl)piperidino]-4,5-dihydro-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3580
5-methyl-2-[2-(3-pyridyl)piperidino]-4,5-dihydro-1,3-thiazole

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

8020-3580

Molecular Formula

C14H19N3S (C14 H19 N3 S)

Compound Name

5-methyl-2-[2-(3-pyridyl)piperidino]-4,5-dihydro-1,3-thiazole

IUPAC name

3-[1-(5-methyl-45-dihydro-13-thiazol-2-yl)piperidin-2-yl]pyridine

SMILES

CC1SC(N(CCCC2)C2c2cnccc2)=NC1

InChI

InChI=1S/C14H19N3S/c1-11-9-16-14(18-11)17-8-3-2-6-13(17)12-5-4-7-15-10-12/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3

InChI Key

JHTSXDMFMRLXPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-2.15

Polar Surface Area

21.440

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

8020-3580 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-3580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3580?
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What is the minimum amount of 8020-3580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3580
  • 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 8020-3580 available by request