K781-5825 Screening compound: N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

K781-5825 Screening compound: N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
K781-5825 Screening compound: N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5825
N-(3,4-difluorophenyl)-2-{[8-(morpholine-4-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

K781-5825

Molecular Formula

C21H18F2N6O4S2 (C21 H18 F2 N6 O4 S2)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-2-{[8-(morpholine-4-sulfonyl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cc(cc2)S(N3CCOCC3)(=O)=O)c2[nH]2)c2n1)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C21H18F2N6O4S2/c22-15-3-1-12(9-16(15)23)24-18(30)11-34-21-26-20-19(27-28-21)14-10-13(2-4-17(14)25-20)35(31,32)29-5-7-33-8-6-29/h1-4,9-10H,5-8,11H2,(H,24,30)(H,25,26,28)

InChI Key

ACOIYXRZBOTDKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-3.01

Polar Surface Area

104.303

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K781-5825 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 K781-5825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5825?
Check Price and Availability of K781-5825, 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 K781-5825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5825
  • 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 K781-5825 available by request