G107-0127 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

G107-0127 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
G107-0127 Screening compound: 3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G107-0127
3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)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

G107-0127

Molecular Formula

C25H23NO6 (C25 H23 NO6)

Compound Name

3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

IUPAC name

3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

COc1cccc(CN(C(C(C(O)=O)c2c3cccc2)c(cccc2OC)c2O)C3=O)c1

InChI

InChI=1S/C25H23NO6/c1-31-16-8-5-7-15(13-16)14-26-22(19-11-6-12-20(32-2)23(19)27)21(25(29)30)17-9-3-4-10-18(17)24(26)28/h3-13,21-22,27H,14H2,1-2H3,(H,29,30)

InChI Key

WQHZURMDYLRGJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

0.522

Water Solubility, LogSw

-3.55

Polar Surface Area

74.713

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

G107-0127 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G107-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G107-0127?
Check Price and Availability of G107-0127, 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 G107-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G107-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G107-0127
  • 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 G107-0127 available by request