6113-2731 Screening compound: 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzamide

6113-2731 Screening compound: 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzamide
6113-2731 Screening compound: 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6113-2731
2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzamide

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

6113-2731

Molecular Formula

C15H14N2O5S (C15 H14 N2 O5 S)

Compound Name

2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzamide

IUPAC name

2-(23-dihydro-14-benzodioxine-6-sulfonamido)benzamide

SMILES

NC(c(cccc1)c1NS(c(cc1)cc2c1OCCO2)(=O)=O)=O

InChI

InChI=1S/C15H14N2O5S/c16-15(18)11-3-1-2-4-12(11)17-23(19,20)10-5-6-13-14(9-10)22-8-7-21-13/h1-6,9,17H,7-8H2,(H2,16,18)

InChI Key

CHFTZYINNDKEEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01964756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.612

Distribution Coefficient, logD

0.577

Water Solubility, LogSw

-2.42

Polar Surface Area

90.072

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6113-2731 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6113-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6113-2731?
Check Price and Availability of 6113-2731, 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 6113-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6113-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6113-2731
  • 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 6113-2731 available by request