K261-2831 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide

K261-2831 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide
K261-2831 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2831
2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide

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

K261-2831

Molecular Formula

C23H20ClN3O4S2 (C23 H20 ClN3 O4 S2)

Compound Name

2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide

IUPAC name

2-[(4-benzyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide

SMILES

COc(ccc(NC(CSC(N(Cc1ccccc1)c1c2cccc1)=NS2(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C23H20ClN3O4S2/c1-31-20-12-11-17(13-18(20)24)25-22(28)15-32-23-26-33(29,30)21-10-6-5-9-19(21)27(23)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)

InChI Key

QNOYNZCXEVKELR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.86

Polar Surface Area

74.493

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K261-2831 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K261-2831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2831?
Check Price and Availability of K261-2831, 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 K261-2831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2831
  • 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 K261-2831 available by request