E782-0596 Screening compound: N~7~-(3-chloro-4-methoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

E782-0596 Screening compound: N~7~-(3-chloro-4-methoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
E782-0596 Screening compound: N~7~-(3-chloro-4-methoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E782-0596
N~7~-(3-chloro-4-methoxyphenyl)-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

E782-0596

Molecular Formula

C14H12ClN3O5S2 (C14 H12 ClN3 O5 S2)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-11-dioxo-2H-1lambda624-benzothiadiazine-7-sulfonamide

SMILES

COc(ccc(NS(c(cc1)cc2c1N=CNS2(=O)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C14H12ClN3O5S2/c1-23-13-5-2-9(6-11(13)15)18-24(19,20)10-3-4-12-14(7-10)25(21,22)17-8-16-12/h2-8,18H,1H3,(H,16,17)

InChI Key

FZAOXLRRANPQSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-3.43

Polar Surface Area

100.372

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

E782-0596 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E782-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E782-0596?
Check Price and Availability of E782-0596, 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 E782-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E782-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E782-0596
  • 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 E782-0596 available by request