S329-0190 Screening compound: 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

S329-0190 Screening compound: 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
S329-0190 Screening compound: 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-0190
1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

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

S329-0190

Molecular Formula

C20H30N4O3 (C20 H30 N4 O3)

Compound Name

1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

IUPAC name

1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

SMILES

CCCNC(N(C(CC1)CCN1C(c1ccncc1)=O)C1CCOCC1)=O

InChI

InChI=1S/C20H30N4O3/c1-2-9-22-20(26)24(18-7-14-27-15-8-18)17-5-12-23(13-6-17)19(25)16-3-10-21-11-4-16/h3-4,10-11,17-18H,2,5-9,12-15H2,1H3,(H,22,26)

InChI Key

OYVZBXXFSFACNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-1.49

Polar Surface Area

58.824

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S329-0190 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S329-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-0190?
Check Price and Availability of S329-0190, 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 S329-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-0190
  • 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 S329-0190 available by request