8006-4566 Screening compound: N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]piperidine-1-carboxamide

8006-4566 Screening compound: N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]piperidine-1-carboxamide
8006-4566 Screening compound: N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4566
N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]piperidine-1-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

8006-4566

Molecular Formula

C11H17N3OS3 (C11 H17 N3 OS3)

Compound Name

N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]piperidine-1-carboxamide

IUPAC name

N-[35-bis(methylsulfanyl)-12-thiazol-4-yl]piperidine-1-carboxamide

SMILES

CSc1nsc(SC)c1NC(N1CCCCC1)=O

InChI

InChI=1S/C11H17N3OS3/c1-16-9-8(10(17-2)18-13-9)12-11(15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,15)

InChI Key

QWAFVHFMMUSVQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.21

Polar Surface Area

34.935

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

8006-4566 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8006-4566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4566?
Check Price and Availability of 8006-4566, 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 8006-4566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4566
  • 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 8006-4566 available by request