C066-1896 Screening compound: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-1896 Screening compound: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-1896 Screening compound: 2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1896
2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-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

C066-1896

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

IUPAC name

2-methyl-1-oxo-3-(345-trimethoxyphenyl)-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

CN(C(C(C(O)=O)c1c2cccc1)c(cc1OC)cc(OC)c1OC)C2=O

InChI

InChI=1S/C20H21NO6/c1-21-17(11-9-14(25-2)18(27-4)15(10-11)26-3)16(20(23)24)12-7-5-6-8-13(12)19(21)22/h5-10,16-17H,1-4H3,(H,23,24)

InChI Key

HZWXNYYVVCDQFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.506

Distribution Coefficient, logD

-1.216

Water Solubility, LogSw

-2.13

Polar Surface Area

67.074

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

C066-1896 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1896?
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What is the minimum amount of C066-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1896
  • 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 C066-1896 available by request