K781-5439 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

K781-5439 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
K781-5439 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5439
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-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

K781-5439

Molecular Formula

C24H24N6O5S2 (C24 H24 N6 O5 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[8-(piperidine-1-sulfonyl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cc(cc2)S(N3CCCCC3)(=O)=O)c2[nH]2)c2n1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H24N6O5S2/c31-21(25-15-4-7-19-20(12-15)35-11-10-34-19)14-36-24-27-23-22(28-29-24)17-13-16(5-6-18(17)26-23)37(32,33)30-8-2-1-3-9-30/h4-7,12-13H,1-3,8-11,14H2,(H,25,31)(H,26,27,29)

InChI Key

JIPMWQJMZXEVRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.84

Polar Surface Area

112.218

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K781-5439 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K781-5439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5439?
Check Price and Availability of K781-5439, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-5439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5439
  • 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 K781-5439 available by request