K666-0053 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

K666-0053 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
K666-0053 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K666-0053
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

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

K666-0053

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-1234-tetrahydroisoquinoline

SMILES

O=S(c1cccc2nsnc12)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C15H13N3O2S2/c19-22(20,14-7-3-6-13-15(14)17-21-16-13)18-9-8-11-4-1-2-5-12(11)10-18/h1-7H,8-10H2

InChI Key

KTTRPYWGKZXTPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03944997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.29

Polar Surface Area

52.564

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K666-0053 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K666-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K666-0053?
Check Price and Availability of K666-0053, 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 K666-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K666-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K666-0053
  • 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 K666-0053 available by request