Y031-1220 Screening compound: 3-(BENZYLSULFONYL)-1-(3-METHYLPIPERIDINO)-1-PROPANONE

Y031-1220 Screening compound: 3-(BENZYLSULFONYL)-1-(3-METHYLPIPERIDINO)-1-PROPANONE
Y031-1220 Screening compound: 3-(BENZYLSULFONYL)-1-(3-METHYLPIPERIDINO)-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1220
3-(BENZYLSULFONYL)-1-(3-METHYLPIPERIDINO)-1-PROPANONE

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

Y031-1220

Molecular Formula

C16H23NO3S (C16 H23 NO3 S)

Compound Name

3-(BENZYLSULFONYL)-1-(3-METHYLPIPERIDINO)-1-PROPANONE

IUPAC name

n/a

SMILES

CC(CCC1)CN1C(CCS(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C16H23NO3S/c1-14-6-5-10-17(12-14)16(18)9-11-21(19,20)13-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m0/s1

InChI Key

NDMBVDABJIJNFM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06154412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-2.02

Polar Surface Area

44.593

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

Y031-1220 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with Y031-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1220?
Check Price and Availability of Y031-1220, 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 Y031-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1220
  • 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 Y031-1220 available by request