K781-5841 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

K781-5841 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
K781-5841 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5841
N-(3-chloro-2-methylphenyl)-2-{[8-(diethylsulfamoyl)-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

K781-5841

Molecular Formula

C22H23ClN6O3S2 (C22 H23 ClN6 O3 S2)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-2-{[8-(diethylsulfamoyl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

CCN(CC)S(c(cc1)cc2c1[nH]c1nc(SCC(Nc3cccc(Cl)c3C)=O)nnc12)(=O)=O

InChI

InChI=1S/C22H23ClN6O3S2/c1-4-29(5-2)34(31,32)14-9-10-18-15(11-14)20-21(25-18)26-22(28-27-20)33-12-19(30)24-17-8-6-7-16(23)13(17)3/h6-11H,4-5,12H2,1-3H3,(H,24,30)(H,25,26,28)

InChI Key

IHLRTZANMMZVGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.05

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.79

Polar Surface Area

95.083

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K781-5841 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 K781-5841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5841?
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What is the minimum amount of K781-5841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5841
  • 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 K781-5841 available by request