6064-0043 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

6064-0043 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
6064-0043 Screening compound: 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6064-0043
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

6064-0043

Molecular Formula

C22H26N2O6S (C22 H26 N2 O6 S)

Compound Name

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(COc(cc1)ccc1S(NC1CCCCC1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H26N2O6S/c25-22(23-17-6-11-20-21(14-17)29-13-12-28-20)15-30-18-7-9-19(10-8-18)31(26,27)24-16-4-2-1-3-5-16/h6-11,14,16,24H,1-5,12-13,15H2,(H,23,25)

InChI Key

DZBVIUGQJDFAKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.44

Polar Surface Area

88.136

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

6064-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6064-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6064-0043?
Check Price and Availability of 6064-0043, 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 6064-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6064-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6064-0043
  • 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 6064-0043 available by request