K784-7866 Screening compound: 2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

K784-7866 Screening compound: 2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
K784-7866 Screening compound: 2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7866
2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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

K784-7866

Molecular Formula

C29H30N4O3S (C29 H30 N4 O3 S)

Compound Name

2-{[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[56-bis(4-ethoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCOc(cc1)ccc1-c1nc(SCC(NCc2ccc(C)cc2)=O)nnc1-c(cc1)ccc1OCC

InChI

InChI=1S/C29H30N4O3S/c1-4-35-24-14-10-22(11-15-24)27-28(23-12-16-25(17-13-23)36-5-2)32-33-29(31-27)37-19-26(34)30-18-21-8-6-20(3)7-9-21/h6-17H,4-5,18-19H2,1-3H3,(H,30,34)

InChI Key

JLMUJFRPJWZPBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.32

Polar Surface Area

70.104

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K784-7866 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K784-7866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7866?
Check Price and Availability of K784-7866, 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 K784-7866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7866
  • 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 K784-7866 available by request