S688-2909 Screening compound: 4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide

S688-2909 Screening compound: 4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide
S688-2909 Screening compound: 4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2909
4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide

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

S688-2909

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide

IUPAC name

4-cyano-N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]benzamide

SMILES

COCCC(CC1)(CCN1C1CCOCC1)NC(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C21H29N3O3/c1-26-15-10-21(23-20(25)18-4-2-17(16-22)3-5-18)8-11-24(12-9-21)19-6-13-27-14-7-19/h2-5,19H,6-15H2,1H3,(H,23,25)

InChI Key

BIOLMDJFVIYHSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31997435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.682

Distribution Coefficient, logD

-0.659

Water Solubility, LogSw

-2.17

Polar Surface Area

61.095

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S688-2909 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S688-2909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2909?
Check Price and Availability of S688-2909, 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 S688-2909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2909
  • 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 S688-2909 available by request