C200-8662 Screening compound: 4-ethyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

C200-8662 Screening compound: 4-ethyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
C200-8662 Screening compound: 4-ethyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8662
4-ethyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-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

C200-8662

Molecular Formula

C15H19N3O3S2 (C15 H19 N3 O3 S2)

Compound Name

4-ethyl-3-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-ethyl-3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1lambda624-benzothiadiazine-11-dione

SMILES

CCN(c1c2cccc1)C(SCC(N1CCCC1)=O)=NS2(=O)=O

InChI

InChI=1S/C15H19N3O3S2/c1-2-18-12-7-3-4-8-13(12)23(20,21)16-15(18)22-11-14(19)17-9-5-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3

InChI Key

MOURSFQBFHSJGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.27

Polar Surface Area

60.468

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C200-8662 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-8662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8662?
Check Price and Availability of C200-8662, 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 C200-8662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8662
  • 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 C200-8662 available by request