E583-0103 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E583-0103 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E583-0103 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E583-0103
3-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-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

E583-0103

Molecular Formula

C20H21ClN4O3S (C20 H21 ClN4 O3 S)

Compound Name

3-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CC(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C20H21ClN4O3S/c1-14-6-7-15(21)12-17(14)24-8-10-25(11-9-24)20(26)13-19-22-16-4-2-3-5-18(16)29(27,28)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23)

InChI Key

LHGFMGPDDXQOLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-3.33

Polar Surface Area

69.976

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E583-0103 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 E583-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E583-0103?
Check Price and Availability of E583-0103, 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 E583-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E583-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E583-0103
  • 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 E583-0103 available by request