4460-0018 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine

4460-0018 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine
4460-0018 Screening compound: 3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4460-0018
3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine

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

4460-0018

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine

IUPAC name

3-[1-(4-methylbenzenesulfonyl)piperidin-2-yl]pyridine

SMILES

Cc(cc1)ccc1S(N(CCCC1)C1c1cnccc1)(=O)=O

InChI

InChI=1S/C17H20N2O2S/c1-14-7-9-16(10-8-14)22(20,21)19-12-3-2-6-17(19)15-5-4-11-18-13-15/h4-5,7-11,13,17H,2-3,6,12H2,1H3/t17-/m0/s1

InChI Key

MIIOCWLCCUPFRX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00402152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-2.90

Polar Surface Area

41.667

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

4460-0018 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4460-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4460-0018?
Check Price and Availability of 4460-0018, 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 4460-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4460-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4460-0018
  • 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 4460-0018 available by request