K216-7845 Screening compound: methyl 3-(2,3-diphenylquinoxaline-6-amido)thiophene-2-carboxylate

K216-7845 Screening compound: methyl 3-(2,3-diphenylquinoxaline-6-amido)thiophene-2-carboxylate
K216-7845 Screening compound: methyl 3-(2,3-diphenylquinoxaline-6-amido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-7845
methyl 3-(2,3-diphenylquinoxaline-6-amido)thiophene-2-carboxylate

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

K216-7845

Molecular Formula

C27H19N3O3S (C27 H19 N3 O3 S)

Compound Name

methyl 3-(2,3-diphenylquinoxaline-6-amido)thiophene-2-carboxylate

IUPAC name

methyl 3-(23-diphenylquinoxaline-6-amido)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1)=O)=O

InChI

InChI=1S/C27H19N3O3S/c1-33-27(32)25-21(14-15-34-25)30-26(31)19-12-13-20-22(16-19)29-24(18-10-6-3-7-11-18)23(28-20)17-8-4-2-5-9-17/h2-16H,1H3,(H,30,31)

InChI Key

QWBOOAWTDQDSPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-5.16

Polar Surface Area

62.755

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

K216-7845 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K216-7845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-7845?
Check Price and Availability of K216-7845, 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 K216-7845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-7845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-7845
  • 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 K216-7845 available by request