R048-0972 Screening compound: 4-benzoyl-2-nitroaniline

R048-0972 Screening compound: 4-benzoyl-2-nitroaniline
R048-0972 Screening compound: 4-benzoyl-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound R048-0972
4-benzoyl-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

R048-0972

Molecular Formula

C13H10N2O3 (C13 H10 N2 O3)

Compound Name

4-benzoyl-2-nitroaniline

IUPAC name

n/a

SMILES

Nc(ccc(C(c1ccccc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2

InChI Key

NGOOFAMQPUEDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.53

Polar Surface Area

66.882

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with R048-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R048-0972?
Check Price and Availability of R048-0972, 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 R048-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R048-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R048-0972
  • 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 R048-0972 available by request