5641-1515 Screening compound: 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

5641-1515 Screening compound: 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
5641-1515 Screening compound: 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1515
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

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

5641-1515

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

COc1ccc(CNC(C(CC2)CCN2S(c2ccccc2)(=O)=O)=O)cc1

InChI

InChI=1S/C20H24N2O4S/c1-26-18-9-7-16(8-10-18)15-21-20(23)17-11-13-22(14-12-17)27(24,25)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,21,23)

InChI Key

AWNPBOHCVLYUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03708138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-2.55

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5641-1515 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Proline Kinase Library (2105 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5641-1515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1515?
Check Price and Availability of 5641-1515, 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 5641-1515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1515
  • 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 5641-1515 available by request