0382-0050 Screening compound: 4-(4-hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol

0382-0050 Screening compound: 4-(4-hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol
0382-0050 Screening compound: 4-(4-hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0382-0050
4-(4-hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol

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

0382-0050

Molecular Formula

C12H6N4O12S (C12 H6 N4 O12 S)

Compound Name

4-(4-hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol

IUPAC name

4-(4-hydroxy-35-dinitrobenzenesulfonyl)-26-dinitrophenol

SMILES

[O-][N+](c1cc(S(c(cc2[N+]([O-])=O)cc([N+]([O-])=O)c2O)(=O)=O)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H

InChI Key

NYUQRXIIWRWVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00186880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.27

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

-2.907

Water Solubility, LogSw

-3.55

Polar Surface Area

193.020

Acid Dissociation Constant (pKa)

1.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0382-0050 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0382-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0382-0050?
Check Price and Availability of 0382-0050, 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 0382-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0382-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0382-0050
  • 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 0382-0050 available by request