F047-0502F Screening compound: N~4~-(4-methoxyphenyl)-2-(3-toluidino)isonicotinamide

F047-0502F Screening compound: N~4~-(4-methoxyphenyl)-2-(3-toluidino)isonicotinamide
F047-0502F Screening compound: N~4~-(4-methoxyphenyl)-2-(3-toluidino)isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F047-0502F
N~4~-(4-methoxyphenyl)-2-(3-toluidino)isonicotinamide

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

F047-0502F

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

N~4~-(4-methoxyphenyl)-2-(3-toluidino)isonicotinamide

IUPAC name

n/a

SMILES

Cc1cccc(Nc2nccc(C(Nc(cc3)ccc3OC)=O)c2)c1

InChI

InChI=1S/C20H19N3O2/c1-14-4-3-5-17(12-14)22-19-13-15(10-11-21-19)20(24)23-16-6-8-18(25-2)9-7-16/h3-13H,1-2H3,(H,21,22)(H,23,24)

InChI Key

MRYRFBFLROHCLM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.42

Polar Surface Area

49.401

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

References: we are preparing a list of scientific research reports with F047-0502F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F047-0502F?
Check Price and Availability of F047-0502F, 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 F047-0502F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F047-0502F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F047-0502F
  • 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 F047-0502F available by request