Y050-1176 Screening compound: 3-(pyrrolidine-1-carbonyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine

Y050-1176 Screening compound: 3-(pyrrolidine-1-carbonyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine
Y050-1176 Screening compound: 3-(pyrrolidine-1-carbonyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1176
3-(pyrrolidine-1-carbonyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine

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

Y050-1176

Molecular Formula

C19H28N2O3S (C19 H28 N2 O3 S)

Compound Name

3-(pyrrolidine-1-carbonyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine

IUPAC name

3-(pyrrolidine-1-carbonyl)-1-(246-trimethylbenzenesulfonyl)piperidine

SMILES

Cc(cc1C)cc(C)c1S(N(CCC1)CC1C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C19H28N2O3S/c1-14-11-15(2)18(16(3)12-14)25(23,24)21-10-6-7-17(13-21)19(22)20-8-4-5-9-20/h11-12,17H,4-10,13H2,1-3H3/t17-/m0/s1

InChI Key

KJQNWPLKLWASBK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08069796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.26

Polar Surface Area

48.897

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

Y050-1176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 Y050-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1176?
Check Price and Availability of Y050-1176, 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 Y050-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1176
  • 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 Y050-1176 available by request