R052-0787 Screening compound: 3-(4-chloro-3-methylphenoxy)-5-nitroaniline

R052-0787 Screening compound: 3-(4-chloro-3-methylphenoxy)-5-nitroaniline
R052-0787 Screening compound: 3-(4-chloro-3-methylphenoxy)-5-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0787
3-(4-chloro-3-methylphenoxy)-5-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

R052-0787

Molecular Formula

C13H11ClN2O3 (C13 H11 ClN2 O3)

Compound Name

3-(4-chloro-3-methylphenoxy)-5-nitroaniline

IUPAC name

3-(4-chloro-3-methylphenoxy)-5-nitroaniline

SMILES

Cc(cc(cc1)Oc2cc([N+]([O-])=O)cc(N)c2)c1Cl

InChI

InChI=1S/C13H11ClN2O3/c1-8-4-11(2-3-13(8)14)19-12-6-9(15)5-10(7-12)16(17)18/h2-7H,15H2,1H3

InChI Key

VHJIPFYGZDZQOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.69

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

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.56

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

7.70

R052-0787 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 R052-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0787?
Check Price and Availability of R052-0787, 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 R052-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0787
  • 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 R052-0787 available by request