C066-1696 Screening compound: 3-(2,5-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-1696 Screening compound: 3-(2,5-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-1696 Screening compound: 3-(2,5-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1696
3-(2,5-dimethoxyphenyl)-6,7-dimethoxy-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

C066-1696

Molecular Formula

C21H23NO7 (C21 H23 NO7)

Compound Name

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

IUPAC name

3-(25-dimethoxyphenyl)-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

CN(C(C(C(O)=O)c(cc1OC)c2cc1OC)c(cc(cc1)OC)c1OC)C2=O

InChI

InChI=1S/C21H23NO7/c1-22-19(14-8-11(26-2)6-7-15(14)27-3)18(21(24)25)12-9-16(28-4)17(29-5)10-13(12)20(22)23/h6-10,18-19H,1-5H3,(H,24,25)

InChI Key

OHDJSIAXILMNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

-1.021

Water Solubility, LogSw

-2.24

Polar Surface Area

74.532

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-6.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C066-1696 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 C066-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1696?
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What is the minimum amount of C066-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1696
  • 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 C066-1696 available by request