C066-1898 Screening compound: 6,7-diethoxy-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-1898 Screening compound: 6,7-diethoxy-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-1898 Screening compound: 6,7-diethoxy-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 C066-1898
6,7-diethoxy-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

C066-1898

Molecular Formula

C24H29NO8 (C24 H29 NO8)

Compound Name

6,7-diethoxy-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

IUPAC name

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

SMILES

CCOc(c(OCC)c1)cc(C(C(c(cc2OC)cc(OC)c2OC)N2C)C(O)=O)c1C2=O

InChI

InChI=1S/C24H29NO8/c1-7-32-16-11-14-15(12-17(16)33-8-2)23(26)25(3)21(20(14)24(27)28)13-9-18(29-4)22(31-6)19(10-13)30-5/h9-12,20-21H,7-8H2,1-6H3,(H,27,28)

InChI Key

OBPGELYTFSMDSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

-1.185

Water Solubility, LogSw

-1.84

Polar Surface Area

81.495

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C066-1898 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1898?
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What is the minimum amount of C066-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1898
  • 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 C066-1898 available by request