4314-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide

4314-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide
4314-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4314-0233
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide

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

4314-0233

Molecular Formula

C16H17NO5S (C16 H17 NO5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-ethoxybenzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C16H17NO5S/c1-2-20-13-4-6-14(7-5-13)23(18,19)17-10-12-3-8-15-16(9-12)22-11-21-15/h3-9,17H,2,10-11H2,1H3

InChI Key

WHPSIVJQZWCNQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.35

Polar Surface Area

66.236

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4314-0233 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4314-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4314-0233?
Check Price and Availability of 4314-0233, 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 4314-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4314-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4314-0233
  • 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 4314-0233 available by request