E583-0085 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide

E583-0085 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide
E583-0085 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E583-0085
N~1~-[4-(aminosulfonyl)phenethyl]-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide

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

E583-0085

Molecular Formula

C17H18N4O5S2 (C17 H18 N4 O5 S2)

Compound Name

N~1~-[4-(aminosulfonyl)phenethyl]-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide

IUPAC name

2-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(CC(N2)=Nc(cccc3)c3S2(=O)=O)=O)cc1)(=O)=O

InChI

InChI=1S/C17H18N4O5S2/c18-27(23,24)13-7-5-12(6-8-13)9-10-19-17(22)11-16-20-14-3-1-2-4-15(14)28(25,26)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)(H2,18,23,24)

InChI Key

AUFLSECYESHDMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.994

Distribution Coefficient, logD

-1.302

Water Solubility, LogSw

-2.09

Polar Surface Area

125.540

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E583-0085 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E583-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E583-0085?
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What is the minimum amount of E583-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E583-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E583-0085
  • 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 E583-0085 available by request