E583-0021 Screening compound: 2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-methoxybenzyl)acetamide

E583-0021 Screening compound: 2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-methoxybenzyl)acetamide
E583-0021 Screening compound: 2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E583-0021
2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-methoxybenzyl)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

E583-0021

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-(2-methoxybenzyl)acetamide

IUPAC name

2-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CC(N2)=Nc(cccc3)c3S2(=O)=O)=O)cccc1

InChI

InChI=1S/C17H17N3O4S/c1-24-14-8-4-2-6-12(14)11-18-17(21)10-16-19-13-7-3-5-9-15(13)25(22,23)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)

InChI Key

NCXXOCKGSARNEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.092

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-2.32

Polar Surface Area

82.726

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E583-0021 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E583-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E583-0021?
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What is the minimum amount of E583-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E583-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E583-0021
  • 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 E583-0021 available by request