Y031-6047 Screening compound: [2-(isopropylsulfanyl)phenyl](piperidino)methanone

Y031-6047 Screening compound: [2-(isopropylsulfanyl)phenyl](piperidino)methanone
Y031-6047 Screening compound: [2-(isopropylsulfanyl)phenyl](piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6047
[2-(isopropylsulfanyl)phenyl](piperidino)methanone

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

Y031-6047

Molecular Formula

C15H21NOS (C15 H21 NOS)

Compound Name

[2-(isopropylsulfanyl)phenyl](piperidino)methanone

IUPAC name

1-[2-(propan-2-ylsulfanyl)benzoyl]piperidine

SMILES

CC(C)Sc(cccc1)c1C(N1CCCCC1)=O

InChI

InChI=1S/C15H21NOS/c1-12(2)18-14-9-5-4-8-13(14)15(17)16-10-6-3-7-11-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3

InChI Key

ZNGYYZGDVDVCJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.73

Polar Surface Area

16.887

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

Y031-6047 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-6047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6047?
Check Price and Availability of Y031-6047, 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 Y031-6047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6047
  • 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 Y031-6047 available by request