5641-1791 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide

5641-1791 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide
5641-1791 Screening compound: N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1791
N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)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

5641-1791

Molecular Formula

C19H20ClFN2O3S (C19 H20 ClFN2 O3 S)

Compound Name

N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)ccc1F)(=O)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C19H20ClFN2O3S/c20-18-4-2-1-3-15(18)13-22-19(24)14-9-11-23(12-10-14)27(25,26)17-7-5-16(21)6-8-17/h1-8,14H,9-13H2,(H,22,24)

InChI Key

LMAYKXLISQJAEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.41

Polar Surface Area

56.363

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

5641-1791 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5641-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1791?
Check Price and Availability of 5641-1791, 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 5641-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1791
  • 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 5641-1791 available by request