3758-0050 Screening compound: 3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

3758-0050 Screening compound: 3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
3758-0050 Screening compound: 3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3758-0050
3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

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

3758-0050

Molecular Formula

C25H21NO2 (C25 H21 NO2)

Compound Name

3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

IUPAC name

3-methylphenyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

SMILES

Cc(cc1)ccc1-c1nc2c(C)cccc2c(C(Oc2cc(C)ccc2)=O)c1

InChI

InChI=1S/C25H21NO2/c1-16-10-12-19(13-11-16)23-15-22(21-9-5-7-18(3)24(21)26-23)25(27)28-20-8-4-6-17(2)14-20/h4-15H,1-3H3

InChI Key

OLRDRKZWUVKUPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02207450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.363

Distribution Coefficient, logD

7.363

Water Solubility, LogSw

-5.96

Polar Surface Area

29.446

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3758-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3758-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3758-0050?
Check Price and Availability of 3758-0050, 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 3758-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3758-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3758-0050
  • 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 3758-0050 available by request