E782-0604 Screening compound: N~7~-(2,3-dimethylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

E782-0604 Screening compound: N~7~-(2,3-dimethylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
E782-0604 Screening compound: N~7~-(2,3-dimethylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E782-0604
N~7~-(2,3-dimethylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-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

E782-0604

Molecular Formula

C15H15N3O4S2 (C15 H15 N3 O4 S2)

Compound Name

N~7~-(2,3-dimethylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

IUPAC name

N-(23-dimethylphenyl)-11-dioxo-2H-1lambda624-benzothiadiazine-7-sulfonamide

SMILES

Cc1cccc(NS(c(cc2)cc3c2N=CNS3(=O)=O)(=O)=O)c1C

InChI

InChI=1S/C15H15N3O4S2/c1-10-4-3-5-13(11(10)2)18-23(19,20)12-6-7-14-15(8-12)24(21,22)17-9-16-14/h3-9,18H,1-2H3,(H,16,17)

InChI Key

FYBLCRSOQXZKQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.32

Polar Surface Area

92.043

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

E782-0604 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with E782-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E782-0604?
Check Price and Availability of E782-0604, 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 E782-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E782-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E782-0604
  • 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 E782-0604 available by request