8001-4401 Screening compound: 2,3-bis(3-{2-[4-(phenylsulfanyl)phenyl]-1-ethynyl}phenyl)quinoxaline

8001-4401 Screening compound: 2,3-bis(3-{2-[4-(phenylsulfanyl)phenyl]-1-ethynyl}phenyl)quinoxaline
8001-4401 Screening compound: 2,3-bis(3-{2-[4-(phenylsulfanyl)phenyl]-1-ethynyl}phenyl)quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4401
2,3-bis(3-{2-[4-(phenylsulfanyl)phenyl]-1-ethynyl}phenyl)quinoxaline

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

8001-4401

Molecular Formula

C48H30N2S2 (C48 H30 N2 S2)

Compound Name

2,3-bis(3-{2-[4-(phenylsulfanyl)phenyl]-1-ethynyl}phenyl)quinoxaline

IUPAC name

23-bis(3-{2-[4-(phenylsulfanyl)phenyl]ethynyl}phenyl)quinoxaline

SMILES

c(cc1)ccc1Sc(cc1)ccc1C#Cc1cccc(-c2nc3ccccc3nc2-c2cccc(C#Cc(cc3)ccc3Sc3ccccc3)c2)c1

InChI

InChI=1S/C48H30N2S2/c1-3-15-41(16-4-1)51-43-29-25-35(26-30-43)21-23-37-11-9-13-39(33-37)47-48(50-46-20-8-7-19-45(46)49-47)40-14-10-12-38(34-40)24-22-36-27-31-44(32-28-36)52-42-17-5-2-6-18-42/h1-20,25-34H

InChI Key

YKVUFXLYTLXGLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

698.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

14.231

Distribution Coefficient, logD

14.231

Water Solubility, LogSw

-6.77

Polar Surface Area

17.083

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-4401 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8001-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4401?
Check Price and Availability of 8001-4401, 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 8001-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4401
  • 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 8001-4401 available by request