D081-0009 Screening compound: ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoate

D081-0009 Screening compound: ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoate
D081-0009 Screening compound: ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D081-0009
ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoate

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

D081-0009

Molecular Formula

C29H31NO6 (C29 H31 NO6)

Compound Name

ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoate

IUPAC name

ethyl 4-[67-diethoxy-1-(4-methoxyphenyl)-3-oxo-1234-tetrahydroisoquinolin-2-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c(cc1)ccc1OC)c(cc1OCC)c(C2)cc1OCC)C2=O)=O

InChI

InChI=1S/C29H31NO6/c1-5-34-25-16-21-17-27(31)30(22-12-8-20(9-13-22)29(32)36-7-3)28(24(21)18-26(25)35-6-2)19-10-14-23(33-4)15-11-19/h8-16,18,28H,5-7,17H2,1-4H3/t28-/m0/s1

InChI Key

CRDHEFCJGXPHHY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03869798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.69

Polar Surface Area

58.035

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

D081-0009 in Drug Discovery

Included in Screening Libraries

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 D081-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D081-0009?
Check Price and Availability of D081-0009, 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 D081-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D081-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D081-0009
  • 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 D081-0009 available by request