K216-8411 Screening compound: 2,3-bis(3-methylphenyl)-N-(2-phenylpropyl)quinoxaline-6-carboxamide

K216-8411 Screening compound: 2,3-bis(3-methylphenyl)-N-(2-phenylpropyl)quinoxaline-6-carboxamide
K216-8411 Screening compound: 2,3-bis(3-methylphenyl)-N-(2-phenylpropyl)quinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-8411
2,3-bis(3-methylphenyl)-N-(2-phenylpropyl)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

K216-8411

Molecular Formula

C32H29N3O (C32 H29 N3 O)

Compound Name

2,3-bis(3-methylphenyl)-N-(2-phenylpropyl)quinoxaline-6-carboxamide

IUPAC name

23-bis(3-methylphenyl)-N-(2-phenylpropyl)quinoxaline-6-carboxamide

SMILES

CC(CNC(c1cc2nc(-c3cc(C)ccc3)c(-c3cc(C)ccc3)nc2cc1)=O)c1ccccc1

InChI

InChI=1S/C32H29N3O/c1-21-9-7-13-25(17-21)30-31(26-14-8-10-22(2)18-26)35-29-19-27(15-16-28(29)34-30)32(36)33-20-23(3)24-11-5-4-6-12-24/h4-19,23H,20H2,1-3H3,(H,33,36)/t23-/m0/s1

InChI Key

XHULEIMWRPNRCQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15081678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.330

Distribution Coefficient, logD

7.330

Water Solubility, LogSw

-5.72

Polar Surface Area

42.583

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

K216-8411 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K216-8411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-8411?
Check Price and Availability of K216-8411, 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 K216-8411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-8411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-8411
  • 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 K216-8411 available by request