0133-0052 Screening compound: 3-methyl-N-[3-(3-methylbenzamido)phenyl]benzamide

0133-0052 Screening compound: 3-methyl-N-[3-(3-methylbenzamido)phenyl]benzamide
0133-0052 Screening compound: 3-methyl-N-[3-(3-methylbenzamido)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0052
3-methyl-N-[3-(3-methylbenzamido)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

0133-0052

Molecular Formula

C22H20N2O2 (C22 H20 N2 O2)

Compound Name

3-methyl-N-[3-(3-methylbenzamido)phenyl]benzamide

IUPAC name

3-methyl-N-[3-(3-methylbenzamido)phenyl]benzamide

SMILES

Cc1cccc(C(Nc2cccc(NC(c3cc(C)ccc3)=O)c2)=O)c1

InChI

InChI=1S/C22H20N2O2/c1-15-6-3-8-17(12-15)21(25)23-19-10-5-11-20(14-19)24-22(26)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,23,25)(H,24,26)

InChI Key

GONFYUVPWPOVIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.43

Polar Surface Area

46.421

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0133-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Ion Channels Annotated Library (353 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0133-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0052?
Check Price and Availability of 0133-0052, 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 0133-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0052
  • 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 0133-0052 available by request