0069-0005 Screening compound: 2,4,6-trinitrobenzene-1,3-diol

0069-0005 Screening compound: 2,4,6-trinitrobenzene-1,3-diol
0069-0005 Screening compound: 2,4,6-trinitrobenzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0069-0005
2,4,6-trinitrobenzene-1,3-diol

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

0069-0005

Molecular Formula

C6H3N3O8 (C6 H3 N3 O8)

Compound Name

2,4,6-trinitrobenzene-1,3-diol

IUPAC name

246-trinitrobenzene-13-diol

SMILES

[O-][N+](c(cc(c(O)c1[N+]([O-])=O)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H

InChI Key

IXHMHWIBCIYOAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.11

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

-4.916

Water Solubility, LogSw

-1.84

Polar Surface Area

130.138

Acid Dissociation Constant (pKa)

0.56

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0069-0005 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 0069-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0069-0005?
Check Price and Availability of 0069-0005, 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 0069-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0069-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0069-0005
  • 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 0069-0005 available by request