C200-4769 Screening compound: N-(3,4-dimethoxybenzyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

C200-4769 Screening compound: N-(3,4-dimethoxybenzyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
C200-4769 Screening compound: N-(3,4-dimethoxybenzyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4769
N-(3,4-dimethoxybenzyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

C200-4769

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

N-(3,4-dimethoxybenzyl)-3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-3-(11-dioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

COc(ccc(CNC(c1cccc(N(CCC2)S2(=O)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C19H22N2O5S/c1-25-17-8-7-14(11-18(17)26-2)13-20-19(22)15-5-3-6-16(12-15)21-9-4-10-27(21,23)24/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,20,22)

InChI Key

DQKNIHOOHUBNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.358

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-2.45

Polar Surface Area

71.948

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

C200-4769 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-4769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4769?
Check Price and Availability of C200-4769, 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 C200-4769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4769
  • 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 C200-4769 available by request