0213-0011 Screening compound: 2,4,6-trinitro-N-phenylaniline

0213-0011 Screening compound: 2,4,6-trinitro-N-phenylaniline
0213-0011 Screening compound: 2,4,6-trinitro-N-phenylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0213-0011
2,4,6-trinitro-N-phenylaniline

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

0213-0011

Molecular Formula

C12H8N4O6 (C12 H8 N4 O6)

Compound Name

2,4,6-trinitro-N-phenylaniline

IUPAC name

246-trinitro-N-phenylaniline

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1Nc1ccccc1)=O

InChI

InChI=1S/C12H8N4O6/c17-14(18)9-6-10(15(19)20)12(11(7-9)16(21)22)13-8-4-2-1-3-5-8/h1-7,13H

InChI Key

GHWYJRRNNWVCPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.22

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.46

Polar Surface Area

107.298

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-11.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0213-0011 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0213-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0213-0011?
Check Price and Availability of 0213-0011, 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 0213-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0213-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0213-0011
  • 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 0213-0011 available by request