E883-0002 Screening compound: 3-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E883-0002 Screening compound: 3-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E883-0002 Screening compound: 3-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0002
3-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

E883-0002

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

3-{3-[4-(3-methoxyphenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2H-1lambda624-benzothiadiazine-11-dione

SMILES

COc1cccc(N(CC2)CCN2C(CCC(N2)=Nc(cccc3)c3S2(=O)=O)=O)c1

InChI

InChI=1S/C21H24N4O4S/c1-29-17-6-4-5-16(15-17)24-11-13-25(14-12-24)21(26)10-9-20-22-18-7-2-3-8-19(18)30(27,28)23-20/h2-8,15H,9-14H2,1H3,(H,22,23)

InChI Key

VMWKSTDLHAFJIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.381

Distribution Coefficient, logD

1.381

Water Solubility, LogSw

-2.51

Polar Surface Area

77.821

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E883-0002 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E883-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0002?
Check Price and Availability of E883-0002, 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 E883-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0002
  • 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 E883-0002 available by request