8008-6311 Screening compound: N-phenyl-N-[(E)-1-(2,4,6-trinitrophenyl)methylidene]amine

8008-6311 Screening compound: N-phenyl-N-[(E)-1-(2,4,6-trinitrophenyl)methylidene]amine
8008-6311 Screening compound: N-phenyl-N-[(E)-1-(2,4,6-trinitrophenyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6311
N-phenyl-N-[(E)-1-(2,4,6-trinitrophenyl)methylidene]amine

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

8008-6311

Molecular Formula

C13H8N4O6 (C13 H8 N4 O6)

Compound Name

N-phenyl-N-[(E)-1-(2,4,6-trinitrophenyl)methylidene]amine

IUPAC name

(E)-N-phenyl-1-(246-trinitrophenyl)methanimine

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(/C=N/c2ccccc2)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C13H8N4O6/c18-15(19)10-6-12(16(20)21)11(13(7-10)17(22)23)8-14-9-4-2-1-3-5-9/h1-8H

InChI Key

RJMCNQDBCYWMAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02646525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.23

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.50

Polar Surface Area

107.909

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-6311 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-6311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6311?
Check Price and Availability of 8008-6311, 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 8008-6311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6311
  • 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 8008-6311 available by request