K261-2942 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(2-chlorophenyl)acetamide

K261-2942 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(2-chlorophenyl)acetamide
K261-2942 Screening compound: 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(2-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2942
2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(2-chlorophenyl)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

K261-2942

Molecular Formula

C22H18ClN3O3S2 (C22 H18 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(Cc1ccccc1)c1c2cccc1)=NS2(=O)=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C22H18ClN3O3S2/c23-17-10-4-5-11-18(17)24-21(27)15-30-22-25-31(28,29)20-13-7-6-12-19(20)26(22)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27)

InChI Key

NMTBKTXZEGZSHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.31

Polar Surface Area

66.165

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K261-2942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2942?
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What is the minimum amount of K261-2942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2942
  • 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 K261-2942 available by request