Y043-7086 Screening compound: 1-(phenylsulfonyl)-3-piperidinecarboxylic acid

Y043-7086 Screening compound: 1-(phenylsulfonyl)-3-piperidinecarboxylic acid
Y043-7086 Screening compound: 1-(phenylsulfonyl)-3-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7086
1-(phenylsulfonyl)-3-piperidinecarboxylic acid

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

Y043-7086

Molecular Formula

C12H15NO4S (C12 H15 NO4 S)

Compound Name

1-(phenylsulfonyl)-3-piperidinecarboxylic acid

IUPAC name

1-(benzenesulfonyl)piperidine-3-carboxylic acid

SMILES

OC(C(CCC1)CN1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C12H15NO4S/c14-12(15)10-5-4-8-13(9-10)18(16,17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)/t10-/m0/s1

InChI Key

JKVDTLWEIJKWGT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00722037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.709

Distribution Coefficient, logD

-1.882

Water Solubility, LogSw

-2.07

Polar Surface Area

60.291

Acid Dissociation Constant (pKa)

4.81

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

Y043-7086 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y043-7086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7086?
Check Price and Availability of Y043-7086, 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 Y043-7086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7086
  • 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 Y043-7086 available by request