3257-4401 Screening compound: 4-(4-cyanophenoxy)-N-(3-methylphenyl)benzamide

3257-4401 Screening compound: 4-(4-cyanophenoxy)-N-(3-methylphenyl)benzamide
3257-4401 Screening compound: 4-(4-cyanophenoxy)-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4401
4-(4-cyanophenoxy)-N-(3-methylphenyl)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

3257-4401

Molecular Formula

C21H16N2O2 (C21 H16 N2 O2)

Compound Name

4-(4-cyanophenoxy)-N-(3-methylphenyl)benzamide

IUPAC name

4-(4-cyanophenoxy)-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c(cc2)ccc2Oc(cc2)ccc2C#N)=O)c1

InChI

InChI=1S/C21H16N2O2/c1-15-3-2-4-18(13-15)23-21(24)17-7-11-20(12-8-17)25-19-9-5-16(14-22)6-10-19/h2-13H,1H3,(H,23,24)

InChI Key

YRNKYEQGYBWYRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00193371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.58

Polar Surface Area

47.134

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3257-4401 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3257-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4401?
Check Price and Availability of 3257-4401, 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 3257-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4401
  • 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 3257-4401 available by request