4413-0146 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

4413-0146 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
4413-0146 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0146
2-(N-benzyl4-methoxybenzenesulfonamido)-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

4413-0146

Molecular Formula

C24H24N2O6S (C24 H24 N2 O6 S)

Compound Name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

COc(cc1)ccc1S(N(CC(Nc(cc1)cc2c1OCCO2)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C24H24N2O6S/c1-30-20-8-10-21(11-9-20)33(28,29)26(16-18-5-3-2-4-6-18)17-24(27)25-19-7-12-22-23(15-19)32-14-13-31-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)

InChI Key

RCYZCGRBVCTNNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.50

Polar Surface Area

77.859

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4413-0146 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4413-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0146?
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What is the minimum amount of 4413-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0146
  • 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 4413-0146 available by request