3788-2072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide

3788-2072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
3788-2072 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-2072
N-(2H-1,3-benzodioxol-5-yl)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]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

3788-2072

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide

SMILES

CCOc(cc1)ccc1N(CC(Nc(cc1)cc2c1OCO2)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C23H22N2O6S/c1-2-29-19-11-9-18(10-12-19)25(32(27,28)20-6-4-3-5-7-20)15-23(26)24-17-8-13-21-22(14-17)31-16-30-21/h3-14H,2,15-16H2,1H3,(H,24,26)

InChI Key

YHFXEFVLTKVIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

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

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.07

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

17.40

3788-2072 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3788-2072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-2072?
Check Price and Availability of 3788-2072, 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 3788-2072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-2072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-2072
  • 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 3788-2072 available by request