C066-0770 Screening compound: methyl 2-[2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

C066-0770 Screening compound: methyl 2-[2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate
C066-0770 Screening compound: methyl 2-[2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0770
methyl 2-[2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]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

C066-0770

Molecular Formula

C32H28N2O6 (C32 H28 N2 O6)

Compound Name

methyl 2-[2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

IUPAC name

methyl 2-[23-bis(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinoline-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(C(c(cc1)ccc1OC)N1c(cc2)ccc2OC)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C32H28N2O6/c1-38-22-16-12-20(13-17-22)29-28(30(35)33-27-11-7-6-10-26(27)32(37)40-3)24-8-4-5-9-25(24)31(36)34(29)21-14-18-23(39-2)19-15-21/h4-19,28-29H,1-3H3,(H,33,35)

InChI Key

QYPUHJOUECIKCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

4.557

Water Solubility, LogSw

-5.53

Polar Surface Area

73.694

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.60

C066-0770 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 C066-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0770?
Check Price and Availability of C066-0770, 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 C066-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0770
  • 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 C066-0770 available by request