S787-0698 Screening compound: 3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

S787-0698 Screening compound: 3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide
S787-0698 Screening compound: 3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0698
3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

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

S787-0698

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-N,N-dimethylpropanamide

IUPAC name

3-(4-{[1-(furan-2-carbonyl)piperidin-4-yl]methyl}phenyl)-NN-dimethylpropanamide

SMILES

CN(C)C(CCc1ccc(CC(CC2)CCN2C(c2ccco2)=O)cc1)=O

InChI

InChI=1S/C22H28N2O3/c1-23(2)21(25)10-9-17-5-7-18(8-6-17)16-19-11-13-24(14-12-19)22(26)20-4-3-15-27-20/h3-8,15,19H,9-14,16H2,1-2H3

InChI Key

XBWGOBBTQOEXSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.13

Polar Surface Area

40.667

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

S787-0698 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S787-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0698?
Check Price and Availability of S787-0698, 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 S787-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0698
  • 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 S787-0698 available by request