1171-0287 Screening compound: 3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide

1171-0287 Screening compound: 3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide
1171-0287 Screening compound: 3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1171-0287
3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide

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

1171-0287

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide

IUPAC name

3-nitro-N-[4-(phenoxymethyl)phenyl]benzamide

SMILES

[O-][N+](c1cc(C(Nc2ccc(COc3ccccc3)cc2)=O)ccc1)=O

InChI

InChI=1S/C20H16N2O4/c23-20(16-5-4-6-18(13-16)22(24)25)21-17-11-9-15(10-12-17)14-26-19-7-2-1-3-8-19/h1-13H,14H2,(H,21,23)

InChI Key

JGFAFLDHQWIROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.64

Polar Surface Area

63.939

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

1171-0287 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 1171-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1171-0287?
Check Price and Availability of 1171-0287, 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 1171-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1171-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1171-0287
  • 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 1171-0287 available by request