0109-0165 Screening compound: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline

0109-0165 Screening compound: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline
0109-0165 Screening compound: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0165
4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline

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

0109-0165

Molecular Formula

C13H12N4O4 (C13 H12 N4 O4)

Compound Name

4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline

IUPAC name

4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline

SMILES

Nc(ccc(Cc(cc1)cc([N+]([O-])=O)c1N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C13H12N4O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5,14-15H2

InChI Key

WJLPZRZKWVPCMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.27

Polar Surface Area

106.320

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 0109-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0165?
Check Price and Availability of 0109-0165, 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 0109-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0165
  • 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 0109-0165 available by request