0393-0121 Screening compound: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline

0393-0121 Screening compound: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
0393-0121 Screening compound: 4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0393-0121
4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline

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

0393-0121

Molecular Formula

C15H14N4O6 (C15 H14 N4 O6)

Compound Name

4-methyl-N-[2-(2,4,6-trinitrophenyl)ethyl]aniline

IUPAC name

4-methyl-N-[2-(246-trinitrophenyl)ethyl]aniline

SMILES

Cc(cc1)ccc1NCCc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H14N4O6/c1-10-2-4-11(5-3-10)16-7-6-13-14(18(22)23)8-12(17(20)21)9-15(13)19(24)25/h2-5,8-9,16H,6-7H2,1H3

InChI Key

FCMHTNNNOIOVQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.3

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.08

Polar Surface Area

109.857

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0393-0121 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 0393-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0393-0121?
Check Price and Availability of 0393-0121, 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 0393-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0393-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0393-0121
  • 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 0393-0121 available by request