5861-0251 Screening compound: N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide

5861-0251 Screening compound: N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide
5861-0251 Screening compound: N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5861-0251
N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)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

5861-0251

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide

IUPAC name

N-(3-acetylphenyl)-1-(4-methoxybenzenesulfonyl)piperidine-4-carboxamide

SMILES

CC(c1cccc(NC(C(CC2)CCN2S(c(cc2)ccc2OC)(=O)=O)=O)c1)=O

InChI

InChI=1S/C21H24N2O5S/c1-15(24)17-4-3-5-18(14-17)22-21(25)16-10-12-23(13-11-16)29(26,27)20-8-6-19(28-2)7-9-20/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)

InChI Key

QRLATFQRDTYEBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.94

Polar Surface Area

76.411

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5861-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5861-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5861-0251?
Check Price and Availability of 5861-0251, 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 5861-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5861-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5861-0251
  • 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 5861-0251 available by request