0382-0061 Screening compound: 3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

0382-0061 Screening compound: 3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
0382-0061 Screening compound: 3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0382-0061
3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

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

0382-0061

Molecular Formula

C12H6N2O6S (C12 H6 N2 O6 S)

Compound Name

3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione

IUPAC name

511-dinitro-8lambda6-thiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-88-dione

SMILES

[O-][N+](c(cc1)cc2c1-c(ccc([N+]([O-])=O)c1)c1S2(=O)=O)=O

InChI

InChI=1S/C12H6N2O6S/c15-13(16)7-1-3-9-10-4-2-8(14(17)18)6-12(10)21(19,20)11(9)5-7/h1-6H

InChI Key

YRXRGRLSHSSUNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.21

Polar Surface Area

95.997

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0382-0061 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0382-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0382-0061?
Check Price and Availability of 0382-0061, 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 0382-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0382-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0382-0061
  • 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 0382-0061 available by request