S787-0054 Screening compound: 3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

S787-0054 Screening compound: 3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
S787-0054 Screening compound: 3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0054
3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

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

S787-0054

Molecular Formula

C21H26N2O2S (C21 H26 N2 O2 S)

Compound Name

3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

IUPAC name

3-(4-{[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide

SMILES

Cc1ccc(C(N2CCC(Cc3ccc(CCC(N)=O)cc3)CC2)=O)s1

InChI

InChI=1S/C21H26N2O2S/c1-15-2-8-19(26-15)21(25)23-12-10-18(11-13-23)14-17-5-3-16(4-6-17)7-9-20(22)24/h2-6,8,18H,7,9-14H2,1H3,(H2,22,24)

InChI Key

QIFVPQJJFQAPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-4.07

Polar Surface Area

51.021

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

S787-0054 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S787-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0054?
Check Price and Availability of S787-0054, 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 S787-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0054
  • 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 S787-0054 available by request