2185-0061 Screening compound: 3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline

2185-0061 Screening compound: 3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline
2185-0061 Screening compound: 3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2185-0061
3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline

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

2185-0061

Molecular Formula

C55H36N4O2 (C55 H36 N4 O2)

Compound Name

3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline

IUPAC name

3-(4-benzoylphenyl)-6-{[3-(4-benzoylphenyl)-2-phenylquinoxalin-6-yl]methyl}-2-phenylquinoxaline

SMILES

O=C(c1ccccc1)c(cc1)ccc1-c1c(-c2ccccc2)nc(ccc(Cc2ccc3nc(-c4ccccc4)c(-c(cc4)ccc4C(c4ccccc4)=O)nc3c2)c2)c2n1

InChI

InChI=1S/C55H36N4O2/c60-54(42-17-9-3-10-18-42)44-27-23-40(24-28-44)52-50(38-13-5-1-6-14-38)56-46-31-21-36(34-48(46)58-52)33-37-22-32-47-49(35-37)59-53(51(57-47)39-15-7-2-8-16-39)41-25-29-45(30-26-41)55(61)43-19-11-4-12-20-43/h1-32,34-35H,33H2

InChI Key

NIBMVZBRZQMEGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01045976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

784.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

11.334

Distribution Coefficient, logD

11.333

Water Solubility, LogSw

-6.31

Polar Surface Area

62.763

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.80

2185-0061 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2185-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2185-0061?
Check Price and Availability of 2185-0061, 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 2185-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2185-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2185-0061
  • 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 2185-0061 available by request