S329-0450 Screening compound: N-(3-PYRIDYLMETHYL)-N-[1-(3-PYRIDYLSULFONYL)-4-PIPERIDYL]-N-TETRAHYDRO-2H-PYRAN-4-YLAMINE

S329-0450 Screening compound: N-(3-PYRIDYLMETHYL)-N-[1-(3-PYRIDYLSULFONYL)-4-PIPERIDYL]-N-TETRAHYDRO-2H-PYRAN-4-YLAMINE
S329-0450 Screening compound: N-(3-PYRIDYLMETHYL)-N-[1-(3-PYRIDYLSULFONYL)-4-PIPERIDYL]-N-TETRAHYDRO-2H-PYRAN-4-YLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-0450
N-(3-PYRIDYLMETHYL)-N-[1-(3-PYRIDYLSULFONYL)-4-PIPERIDYL]-N-TETRAHYDRO-2H-PYRAN-4-YLAMINE

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

S329-0450

Molecular Formula

C21H28N4O3S (C21 H28 N4 O3 S)

Compound Name

N-(3-PYRIDYLMETHYL)-N-[1-(3-PYRIDYLSULFONYL)-4-PIPERIDYL]-N-TETRAHYDRO-2H-PYRAN-4-YLAMINE

IUPAC name

N-(oxan-4-yl)-N-[(pyridin-3-yl)methyl]-1-(pyridine-3-sulfonyl)piperidin-4-amine

SMILES

O=S(c1cnccc1)(N(CC1)CCC1N(Cc1cnccc1)C1CCOCC1)=O

InChI

InChI=1S/C21H28N4O3S/c26-29(27,21-4-2-10-23-16-21)24-11-5-19(6-12-24)25(20-7-13-28-14-8-20)17-18-3-1-9-22-15-18/h1-4,9-10,15-16,19-20H,5-8,11-14,17H2

InChI Key

NTMHQWFFQRKPGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

0.882

Water Solubility, LogSw

-1.74

Polar Surface Area

60.523

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

S329-0450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S329-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-0450?
Check Price and Availability of S329-0450, 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 S329-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-0450
  • 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 S329-0450 available by request