6064-0141 Screening compound: 4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide

6064-0141 Screening compound: 4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide
6064-0141 Screening compound: 4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6064-0141
4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide

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

6064-0141

Molecular Formula

C21H26FN3O4S (C21 H26 FN3 O4 S)

Compound Name

4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)NS(c(cc1)ccc1OCC(N(CC1)CCN1c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C21H26FN3O4S/c1-16(2)23-30(27,28)18-9-7-17(8-10-18)29-15-21(26)25-13-11-24(12-14-25)20-6-4-3-5-19(20)22/h3-10,16,23H,11-15H2,1-2H3

InChI Key

DEACRZLCFANRFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03996756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.20

Polar Surface Area

68.035

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6064-0141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Human Kinases Annotated Library (2415 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

PD-1/L1 Library (498 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Immune system
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6064-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6064-0141?
Check Price and Availability of 6064-0141, 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 6064-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6064-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6064-0141
  • 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 6064-0141 available by request