3786-0520 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]acetamide

3786-0520 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]acetamide
3786-0520 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0520
N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]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

3786-0520

Molecular Formula

C24H24N2O6S (C24 H24 N2 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[N-(4-methylphenyl)4-ethoxybenzenesulfonamido]acetamide

SMILES

CCOc(cc1)ccc1S(N(CC(Nc(cc1)cc2c1OCO2)=O)c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H24N2O6S/c1-3-30-20-9-11-21(12-10-20)33(28,29)26(19-7-4-17(2)5-8-19)15-24(27)25-18-6-13-22-23(14-18)32-16-31-22/h4-14H,3,15-16H2,1-2H3,(H,25,27)

InChI Key

UEKGWWLQQHKTID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.35

Polar Surface Area

79.181

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3786-0520 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3786-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0520?
Check Price and Availability of 3786-0520, 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 3786-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0520
  • 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 3786-0520 available by request