E681-0243 Screening compound: 5-(4-chlorobenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

E681-0243 Screening compound: 5-(4-chlorobenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
E681-0243 Screening compound: 5-(4-chlorobenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-0243
5-(4-chlorobenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

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

E681-0243

Molecular Formula

C20H16ClN3O5S (C20 H16 ClN3 O5 S)

Compound Name

5-(4-chlorobenzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

IUPAC name

5-(4-chlorobenzenesulfonamido)-N-(23-dihydro-14-benzodioxin-6-yl)pyridine-3-carboxamide

SMILES

O=C(c1cc(NS(c(cc2)ccc2Cl)(=O)=O)cnc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H16ClN3O5S/c21-14-1-4-17(5-2-14)30(26,27)24-16-9-13(11-22-12-16)20(25)23-15-3-6-18-19(10-15)29-8-7-28-18/h1-6,9-12,24H,7-8H2,(H,23,25)

InChI Key

IIDWENUAKCUQIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.192

Water Solubility, LogSw

-3.69

Polar Surface Area

89.410

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E681-0243 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E681-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-0243?
Check Price and Availability of E681-0243, 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 E681-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-0243
  • 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 E681-0243 available by request