C200-8794 Screening compound: 2-(2,4-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazino)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-8794 Screening compound: 2-(2,4-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazino)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-8794 Screening compound: 2-(2,4-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazino)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8794
2-(2,4-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazino)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

C200-8794

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

2-(2,4-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazino)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(24-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc(cc1)cc(C)c1N(C(N(CC(N(CC1)CCN1c1ccccc1)=O)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C27H28N4O4S/c1-20-12-13-23(21(2)18-20)31-27(33)30(24-10-6-7-11-25(24)36(31,34)35)19-26(32)29-16-14-28(15-17-29)22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3

InChI Key

BESBCBJRAUCYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.26

Polar Surface Area

66.095

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C200-8794 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8794?
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What is the minimum amount of C200-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8794
  • 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 C200-8794 available by request