5641-1814 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

5641-1814 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
5641-1814 Screening compound: 1-(3,4-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1814
1-(3,4-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)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

5641-1814

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

1-(3,4-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

IUPAC name

1-(34-dimethoxybenzenesulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

SMILES

COc(ccc(S(N(CC1)CCC1C(NCCc1ccccc1)=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C22H28N2O5S/c1-28-20-9-8-19(16-21(20)29-2)30(26,27)24-14-11-18(12-15-24)22(25)23-13-10-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,23,25)

InChI Key

HKDZERAWIUGWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03708284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.215

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.86

Polar Surface Area

71.465

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5641-1814 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5641-1814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1814?
Check Price and Availability of 5641-1814, 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 5641-1814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1814
  • 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 5641-1814 available by request