5458-1356 Screening compound: N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide

5458-1356 Screening compound: N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide
5458-1356 Screening compound: N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5458-1356
N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide

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

5458-1356

Molecular Formula

C17H19N3S (C17 H19 N3 S)

Compound Name

N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide

IUPAC name

N-phenyl-2-(pyridin-3-yl)piperidine-1-carbothioamide

SMILES

S=C(Nc1ccccc1)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C17H19N3S/c21-17(19-15-8-2-1-3-9-15)20-12-5-4-10-16(20)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,19,21)/t16-/m0/s1

InChI Key

IYRYZPHOBLEAJX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01844998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-2.98

Polar Surface Area

20.077

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 5458-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5458-1356?
Check Price and Availability of 5458-1356, 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 5458-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5458-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5458-1356
  • 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 5458-1356 available by request