S329-4107 Screening compound: 3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)urea

S329-4107 Screening compound: 3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)urea
S329-4107 Screening compound: 3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-4107
3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)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

S329-4107

Molecular Formula

C26H41N3O2 (C26 H41 N3 O2)

Compound Name

3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)urea

IUPAC name

3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(oxan-4-yl)-1-(2-phenylethyl)urea

SMILES

O=C(NCCc1ccccc1)N(C1CCN(CC2CCCCC2)CC1)C1CCOCC1

InChI

InChI=1S/C26H41N3O2/c30-26(27-16-11-22-7-3-1-4-8-22)29(25-14-19-31-20-15-25)24-12-17-28(18-13-24)21-23-9-5-2-6-10-23/h1,3-4,7-8,23-25H,2,5-6,9-21H2,(H,27,30)

InChI Key

WDJVZYYUEZIYHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.63

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

4.869

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-4.64

Polar Surface Area

36.401

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

S329-4107 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S329-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-4107?
Check Price and Availability of S329-4107, 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 S329-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-4107
  • 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 S329-4107 available by request