K216-2542 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

K216-2542 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
K216-2542 Screening compound: 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-2542
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-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

K216-2542

Molecular Formula

C28H27ClN4O5S (C28 H27 ClN4 O5 S)

Compound Name

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

IUPAC name

2-{[56-bis(34-dimethoxyphenyl)-124-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(CSc1nnc(-c(cc2)cc(OC)c2OC)c(-c(cc2)cc(OC)c2OC)n1)=O)c1)c1Cl

InChI

InChI=1S/C28H27ClN4O5S/c1-16-6-9-19(14-20(16)29)30-25(34)15-39-28-31-26(17-7-10-21(35-2)23(12-17)37-4)27(32-33-28)18-8-11-22(36-3)24(13-18)38-5/h6-14H,15H2,1-5H3,(H,30,34)

InChI Key

YJVUMSDQRXACIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.07

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.98

Polar Surface Area

85.056

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K216-2542 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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 K216-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-2542?
Check Price and Availability of K216-2542, 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 K216-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-2542
  • 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 K216-2542 available by request