K781-1728 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

K781-1728 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
K781-1728 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1728
N-(5-chloro-2,4-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[1,2,4]triazino[5,6-b]indol-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

K781-1728

Molecular Formula

C22H23ClN6O5S2 (C22 H23 ClN6 O5 S2)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-({8-[(propan-2-yl)sulfamoyl]-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamide

SMILES

CC(C)NS(c(cc1)cc2c1[nH]c1nc(SCC(Nc(c(OC)c3)cc(Cl)c3OC)=O)nnc12)(=O)=O

InChI

InChI=1S/C22H23ClN6O5S2/c1-11(2)29-36(31,32)12-5-6-15-13(7-12)20-21(25-15)26-22(28-27-20)35-10-19(30)24-16-8-14(23)17(33-3)9-18(16)34-4/h5-9,11,29H,10H2,1-4H3,(H,24,30)(H,25,26,28)

InChI Key

NUGNHWUZYUIOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.05

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.58

Polar Surface Area

120.464

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K781-1728 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1728?
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What is the minimum amount of K781-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1728
  • 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 K781-1728 available by request