K216-1356 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide

K216-1356 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
K216-1356 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-1356
N-[2-(4-chlorophenyl)ethyl]-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide

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

K216-1356

Molecular Formula

C35H34ClN3O7 (C35 H34 ClN3 O7)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-23-bis(345-trimethoxyphenyl)quinoxaline-6-carboxamide

SMILES

COc1cc(-c2c(-c(cc3OC)cc(OC)c3OC)nc(cc(cc3)C(NCCc(cc4)ccc4Cl)=O)c3n2)cc(OC)c1OC

InChI

InChI=1S/C35H34ClN3O7/c1-41-27-16-22(17-28(42-2)33(27)45-5)31-32(23-18-29(43-3)34(46-6)30(19-23)44-4)39-26-15-21(9-12-25(26)38-31)35(40)37-14-13-20-7-10-24(36)11-8-20/h7-12,15-19H,13-14H2,1-6H3,(H,37,40)

InChI Key

LQHPCSSXEAAHAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.493

Distribution Coefficient, logD

5.483

Water Solubility, LogSw

-6.03

Polar Surface Area

88.380

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.90

K216-1356 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)

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 K216-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-1356?
Check Price and Availability of K216-1356, 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 K216-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-1356
  • 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 K216-1356 available by request