S688-3213 Screening compound: N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]benzamide

S688-3213 Screening compound: N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]benzamide
S688-3213 Screening compound: N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-3213
N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]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

S688-3213

Molecular Formula

C21H28N2O2S (C21 H28 N2 O2 S)

Compound Name

N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]benzamide

IUPAC name

N-[4-(2-methoxyethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]benzamide

SMILES

Cc1c(CN(CC2)CCC2(CCOC)NC(c2ccccc2)=O)scc1

InChI

InChI=1S/C21H28N2O2S/c1-17-8-15-26-19(17)16-23-12-9-21(10-13-23,11-14-25-2)22-20(24)18-6-4-3-5-7-18/h3-8,15H,9-14,16H2,1-2H3,(H,22,24)

InChI Key

POWHLDCWDBVMCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.47

Polar Surface Area

37.595

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

S688-3213 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S688-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-3213?
Check Price and Availability of S688-3213, 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 S688-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-3213
  • 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 S688-3213 available by request