R052-0798 Screening compound: 3-nitro-5-phenoxyaniline

R052-0798 Screening compound: 3-nitro-5-phenoxyaniline
R052-0798 Screening compound: 3-nitro-5-phenoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0798
3-nitro-5-phenoxyaniline

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

R052-0798

Molecular Formula

C12H10N2O3 (C12 H10 N2 O3)

Compound Name

3-nitro-5-phenoxyaniline

IUPAC name

3-nitro-5-phenoxyaniline

SMILES

Nc1cc([N+]([O-])=O)cc(Oc2ccccc2)c1

InChI

InChI=1S/C12H10N2O3/c13-9-6-10(14(15)16)8-12(7-9)17-11-4-2-1-3-5-11/h1-8H,13H2

InChI Key

WZFNPLLTTBTVQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01103797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.63

Polar Surface Area

61.174

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R052-0798 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R052-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0798?
Check Price and Availability of R052-0798, 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 R052-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0798
  • 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 R052-0798 available by request