K216-2911 Screening compound: 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

K216-2911 Screening compound: 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
K216-2911 Screening compound: 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-2911
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)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

K216-2911

Molecular Formula

C30H31ClN4O5S (C30 H31 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(-c1nc(SCC(Nc2cccc(Cl)c2C)=O)nnc1-c(cc1)cc(OC)c1OCC)c1)c1OC

InChI

InChI=1S/C30H31ClN4O5S/c1-6-39-23-13-11-19(15-25(23)37-4)28-29(20-12-14-24(40-7-2)26(16-20)38-5)34-35-30(33-28)41-17-27(36)32-22-10-8-9-21(31)18(22)3/h8-16H,6-7,17H2,1-5H3,(H,32,36)

InChI Key

GZYSLWGUNVMAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.553

Distribution Coefficient, logD

5.553

Water Solubility, LogSw

-5.97

Polar Surface Area

83.518

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K216-2911 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K216-2911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-2911?
Check Price and Availability of K216-2911, 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 K216-2911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-2911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-2911
  • 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 K216-2911 available by request