C114-0021 Screening compound: 2-(2-morpholino-2-oxoethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione

C114-0021 Screening compound: 2-(2-morpholino-2-oxoethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
C114-0021 Screening compound: 2-(2-morpholino-2-oxoethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C114-0021
2-(2-morpholino-2-oxoethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-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

C114-0021

Molecular Formula

C13H14N2O5S (C13 H14 N2 O5 S)

Compound Name

2-(2-morpholino-2-oxoethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione

IUPAC name

2-[2-(morpholin-4-yl)-2-oxoethyl]-23-dihydro-1lambda62-benzothiazole-113-trione

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)N1CCOCC1

InChI

InChI=1S/C13H14N2O5S/c16-12(14-5-7-20-8-6-14)9-15-13(17)10-3-1-2-4-11(10)21(15,18)19/h1-4H,5-9H2

InChI Key

ZKQARAJKBNNXDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03406801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.724

Distribution Coefficient, logD

-0.724

Water Solubility, LogSw

-2.30

Polar Surface Area

69.485

Acid Dissociation Constant (pKa)

22.53

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

C114-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C114-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C114-0021?
Check Price and Availability of C114-0021, 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 C114-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C114-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C114-0021
  • 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 C114-0021 available by request