K261-1968 Screening compound: N~1~-(4-chlorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide

K261-1968 Screening compound: N~1~-(4-chlorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
K261-1968 Screening compound: N~1~-(4-chlorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1968
N~1~-(4-chlorophenyl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]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

K261-1968

Molecular Formula

C15H12ClN3O3S2 (C15 H12 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(Nc1c2cccc1)=NS2(=O)=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C15H12ClN3O3S2/c16-10-5-7-11(8-6-10)17-14(20)9-23-15-18-12-3-1-2-4-13(12)24(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)

InChI Key

VQXHZCAADDDLFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.56

Polar Surface Area

75.855

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K261-1968 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K261-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1968?
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What is the minimum amount of K261-1968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1968
  • 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 K261-1968 available by request