C066-0685 Screening compound: 3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-0685 Screening compound: 3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-0685 Screening compound: 3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0685
3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

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

C066-0685

Molecular Formula

C19H19NO5 (C19 H19 NO5)

Compound Name

3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

IUPAC name

3-(34-dimethoxyphenyl)-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

CN(C(C(C(O)=O)c1c2cccc1)c(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C19H19NO5/c1-20-17(11-8-9-14(24-2)15(10-11)25-3)16(19(22)23)12-6-4-5-7-13(12)18(20)21/h4-10,16-17H,1-3H3,(H,22,23)

InChI Key

XUQJNDQSMMLBJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

-1.283

Water Solubility, LogSw

-2.04

Polar Surface Area

59.357

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-6.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

C066-0685 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
  • Cancer
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0685?
Check Price and Availability of C066-0685, 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 C066-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0685
  • 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 C066-0685 available by request