3490-5523 Screening compound: 6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one

3490-5523 Screening compound: 6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one
3490-5523 Screening compound: 6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5523
6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one

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

3490-5523

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one

IUPAC name

6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one

SMILES

CSc1ccc(C(C(CC2)[N+]([O-])=O)NC2=O)cc1

InChI

InChI=1S/C12H14N2O3S/c1-18-9-4-2-8(3-5-9)12-10(14(16)17)6-7-11(15)13-12/h2-5,10,12H,6-7H2,1H3,(H,13,15)

InChI Key

KGPRPRLZOPUBMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-2.42

Polar Surface Area

58.259

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

3490-5523 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3490-5523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5523?
Check Price and Availability of 3490-5523, 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 3490-5523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5523
  • 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 3490-5523 available by request