S329-4094 Screening compound: 3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}urea

S329-4094 Screening compound: 3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}urea
S329-4094 Screening compound: 3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-4094
3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]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

S329-4094

Molecular Formula

C24H33N3O2S (C24 H33 N3 O2 S)

Compound Name

3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}urea

IUPAC name

3-(oxan-4-yl)-1-(2-phenylethyl)-3-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}urea

SMILES

O=C(NCCc1ccccc1)N(C1CCN(Cc2cccs2)CC1)C1CCOCC1

InChI

InChI=1S/C24H33N3O2S/c28-24(25-13-8-20-5-2-1-3-6-20)27(22-11-16-29-17-12-22)21-9-14-26(15-10-21)19-23-7-4-18-30-23/h1-7,18,21-22H,8-17,19H2,(H,25,28)

InChI Key

VXKTXDWBWQDKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.98

Polar Surface Area

37.227

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.17

S329-4094 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S329-4094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-4094?
Check Price and Availability of S329-4094, 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 S329-4094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-4094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-4094
  • 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 S329-4094 available by request