E883-0004 Screening compound: 3-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E883-0004 Screening compound: 3-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E883-0004 Screening compound: 3-{3-[4-(2-fluorophenyl)piperazino]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0004
3-{3-[4-(2-fluorophenyl)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

E883-0004

Molecular Formula

C20H21FN4O3S (C20 H21 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1)=Nc(cccc2)c2S1(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C20H21FN4O3S/c21-15-5-1-3-7-17(15)24-11-13-25(14-12-24)20(26)10-9-19-22-16-6-2-4-8-18(16)29(27,28)23-19/h1-8H,9-14H2,(H,22,23)

InChI Key

UBAWPZPRUCPYHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.451

Distribution Coefficient, logD

1.451

Water Solubility, LogSw

-2.34

Polar Surface Area

69.976

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E883-0004 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E883-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0004?
Check Price and Availability of E883-0004, 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 E883-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0004
  • 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 E883-0004 available by request