K261-2989 Screening compound: 4-benzyl-3-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2989 Screening compound: 4-benzyl-3-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2989 Screening compound: 4-benzyl-3-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2989
4-benzyl-3-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}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

K261-2989

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

4-benzyl-3-({2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-benzyl-3-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1lambda624-benzothiadiazine-11-dione

SMILES

O=C(CSC(N(Cc1ccccc1)c1c2cccc1)=NS2(=O)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C25H23N3O3S2/c29-24(27-16-8-12-20-11-4-5-13-21(20)27)18-32-25-26-33(30,31)23-15-7-6-14-22(23)28(25)17-19-9-2-1-3-10-19/h1-7,9-11,13-15H,8,12,16-18H2

InChI Key

VQYHZUFUANJJIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.55

Polar Surface Area

58.770

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K261-2989 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K261-2989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2989?
Check Price and Availability of K261-2989, 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 K261-2989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2989
  • 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 K261-2989 available by request