K216-2863 Screening compound: N-benzyl-2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

K216-2863 Screening compound: N-benzyl-2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide
K216-2863 Screening compound: N-benzyl-2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-2863
N-benzyl-2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-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

K216-2863

Molecular Formula

C30H32N4O5S (C30 H32 N4 O5 S)

Compound Name

N-benzyl-2-{[5,6-bis(3-ethoxy-4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[56-bis(3-ethoxy-4-methoxyphenyl)-124-triazin-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc(cc1)-c2nc(SCC(NCc3ccccc3)=O)nnc2-c(cc2)cc(OCC)c2OC)c1OC

InChI

InChI=1S/C30H32N4O5S/c1-5-38-25-16-21(12-14-23(25)36-3)28-29(22-13-15-24(37-4)26(17-22)39-6-2)33-34-30(32-28)40-19-27(35)31-18-20-10-8-7-9-11-20/h7-17H,5-6,18-19H2,1-4H3,(H,31,35)

InChI Key

QQEXSSZSPZATBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.13

Polar Surface Area

85.538

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K216-2863 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K216-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-2863?
Check Price and Availability of K216-2863, 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 K216-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-2863
  • 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 K216-2863 available by request