S690-1331 Screening compound: 4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)benzamide

S690-1331 Screening compound: 4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)benzamide
S690-1331 Screening compound: 4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-1331
4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)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

S690-1331

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)benzamide

IUPAC name

4-{[1-(4-cyanobenzoyl)piperidin-4-yl]methyl}-N-(2-methoxyethyl)benzamide

SMILES

COCCNC(c1ccc(CC(CC2)CCN2C(c(cc2)ccc2C#N)=O)cc1)=O

InChI

InChI=1S/C24H27N3O3/c1-30-15-12-26-23(28)21-6-2-18(3-7-21)16-19-10-13-27(14-11-19)24(29)22-8-4-20(17-25)5-9-22/h2-9,19H,10-16H2,1H3,(H,26,28)

InChI Key

ZWBPTRFKKKPATB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31980772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-2.97

Polar Surface Area

66.540

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S690-1331 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S690-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-1331?
Check Price and Availability of S690-1331, 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 S690-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-1331
  • 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 S690-1331 available by request