C125-0447 Screening compound: 6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C125-0447 Screening compound: 6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C125-0447 Screening compound: 6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-0447
6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

C125-0447

Molecular Formula

C27H29N3O7 (C27 H29 N3 O7)

Compound Name

6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

67-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-N-(345-trimethoxyphenyl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc(cc1OC)cc(OC)c1OC)=O)c(cc1OC)c2cc1OC)c1cnccc1)C2=O

InChI

InChI=1S/C27H29N3O7/c1-30-24(15-8-7-9-28-14-15)23(17-12-19(33-2)20(34-3)13-18(17)27(30)32)26(31)29-16-10-21(35-4)25(37-6)22(11-16)36-5/h7-14,23-24H,1-6H3,(H,29,31)

InChI Key

IITHMNMZZFZTTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-1.82

Polar Surface Area

86.536

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

C125-0447 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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

Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C125-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-0447?
Check Price and Availability of C125-0447, 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 C125-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-0447
  • 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 C125-0447 available by request