6064-0029 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

6064-0029 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
6064-0029 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6064-0029
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

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

6064-0029

Molecular Formula

C21H23F3N2O4S (C21 H23 F3 N2 O4 S)

Compound Name

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(COc(cc1)ccc1S(NC1CCCCC1)(=O)=O)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H23F3N2O4S/c22-21(23,24)15-6-8-16(9-7-15)25-20(27)14-30-18-10-12-19(13-11-18)31(28,29)26-17-4-2-1-3-5-17/h6-13,17,26H,1-5,14H2,(H,25,27)

InChI Key

QETKNLQHQYMLLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.81

Polar Surface Area

72.312

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6064-0029 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6064-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6064-0029?
Check Price and Availability of 6064-0029, 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 6064-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6064-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6064-0029
  • 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 6064-0029 available by request