7653-0020 Screening compound: 6-[(benzenesulfonyl)methyl]-3-methyl-4H,6H,7H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

7653-0020 Screening compound: 6-[(benzenesulfonyl)methyl]-3-methyl-4H,6H,7H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
7653-0020 Screening compound: 6-[(benzenesulfonyl)methyl]-3-methyl-4H,6H,7H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-0020
6-[(benzenesulfonyl)methyl]-3-methyl-4H,6H,7H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

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

7653-0020

Molecular Formula

C13H13N3O3S2 (C13 H13 N3 O3 S2)

Compound Name

6-[(benzenesulfonyl)methyl]-3-methyl-4H,6H,7H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

6-[(benzenesulfonyl)methyl]-3-methyl-4H6H7H-[13]thiazolo[23-c][124]triazin-4-one

SMILES

CC1=NN=C2SCC(CS(c3ccccc3)(=O)=O)N2C1=O

InChI

InChI=1S/C13H13N3O3S2/c1-9-12(17)16-10(7-20-13(16)15-14-9)8-21(18,19)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3/t10-/m1/s1

InChI Key

ADUSYBWMVRDSDE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD06193753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-2.10

Polar Surface Area

64.518

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

7653-0020 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7653-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-0020?
Check Price and Availability of 7653-0020, 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 7653-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-0020
  • 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 7653-0020 available by request