K216-2585 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

K216-2585 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
K216-2585 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-2585
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)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

K216-2585

Molecular Formula

C29H29ClN4O7S (C29 H29 ClN4 O7 S)

Compound Name

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

IUPAC name

2-{[56-bis(34-dimethoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-(5-chloro-24-dimethoxyphenyl)acetamide

SMILES

COc(ccc(-c1nc(SCC(Nc(c(OC)c2)cc(Cl)c2OC)=O)nnc1-c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C29H29ClN4O7S/c1-36-20-9-7-16(11-24(20)40-5)27-28(17-8-10-21(37-2)25(12-17)41-6)33-34-29(32-27)42-15-26(35)31-19-13-18(30)22(38-3)14-23(19)39-4/h7-14H,15H2,1-6H3,(H,31,35)

InChI Key

RFIRKGOOEQTOBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.09

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.52

Polar Surface Area

99.619

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K216-2585 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K216-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-2585?
Check Price and Availability of K216-2585, 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 K216-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-2585
  • 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 K216-2585 available by request