K261-1669 Screening compound: 3-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile

K261-1669 Screening compound: 3-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
K261-1669 Screening compound: 3-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1669
3-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile

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

K261-1669

Molecular Formula

C15H11N3O2S2 (C15 H11 N3 O2 S2)

Compound Name

3-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile

IUPAC name

3-{[(11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile

SMILES

N#Cc1cccc(CSC(Nc2c3cccc2)=NS3(=O)=O)c1

InChI

InChI=1S/C15H11N3O2S2/c16-9-11-4-3-5-12(8-11)10-21-15-17-13-6-1-2-7-14(13)22(19,20)18-15/h1-8H,10H2,(H,17,18)

InChI Key

ZZUSGUSOJCDUOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-2.78

Polar Surface Area

69.762

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K261-1669 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K261-1669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1669?
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What is the minimum amount of K261-1669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1669
  • 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 K261-1669 available by request