1666-0028 Screening compound: 2-oxo-2-phenylethyl piperidine-1-carbodithioate

1666-0028 Screening compound: 2-oxo-2-phenylethyl piperidine-1-carbodithioate
1666-0028 Screening compound: 2-oxo-2-phenylethyl piperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1666-0028
2-oxo-2-phenylethyl piperidine-1-carbodithioate

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

1666-0028

Molecular Formula

C14H17NOS2 (C14 H17 NOS2)

Compound Name

2-oxo-2-phenylethyl piperidine-1-carbodithioate

IUPAC name

2-oxo-2-phenylethyl piperidine-1-carbodithioate

SMILES

O=C(CSC(N1CCCCC1)=S)c1ccccc1

InChI

InChI=1S/C14H17NOS2/c16-13(12-7-3-1-4-8-12)11-18-14(17)15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-11H2

InChI Key

ADVJDPHBXVNOPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.56

Polar Surface Area

16.306

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1666-0028 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1666-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1666-0028?
Check Price and Availability of 1666-0028, 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 1666-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1666-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1666-0028
  • 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 1666-0028 available by request