C066-1897 Screening compound: 6,7-dimethoxy-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-1897 Screening compound: 6,7-dimethoxy-2-methyl-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-1897 Screening compound: 6,7-dimethoxy-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 C066-1897
6,7-dimethoxy-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

C066-1897

Molecular Formula

C22H25NO8 (C22 H25 NO8)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(O)=O)c(cc1OC)c2cc1OC)c(cc1OC)cc(OC)c1OC)C2=O

InChI

InChI=1S/C22H25NO8/c1-23-19(11-7-16(29-4)20(31-6)17(8-11)30-5)18(22(25)26)12-9-14(27-2)15(28-3)10-13(12)21(23)24/h7-10,18-19H,1-6H3,(H,25,26)

InChI Key

QULKSZZSXCKEBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.246

Distribution Coefficient, logD

-1.476

Water Solubility, LogSw

-1.75

Polar Surface Area

82.335

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

C066-1897 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C066-1897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1897?
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What is the minimum amount of C066-1897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1897
  • 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 C066-1897 available by request