4435-0157 Screening compound: 6,7-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

4435-0157 Screening compound: 6,7-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline
4435-0157 Screening compound: 6,7-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4435-0157
6,7-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

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

4435-0157

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

6,7-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-dimethoxy-1-methyl-2-(3-nitrobenzoyl)-1234-tetrahydroisoquinoline

SMILES

CC(c(cc1OC)c(CC2)cc1OC)N2C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H20N2O5/c1-12-16-11-18(26-3)17(25-2)10-13(16)7-8-20(12)19(22)14-5-4-6-15(9-14)21(23)24/h4-6,9-12H,7-8H2,1-3H3/t12-/m0/s1

InChI Key

AWWIWXNJNCIQQU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02856034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.04

Polar Surface Area

64.366

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

4435-0157 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4435-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4435-0157?
Check Price and Availability of 4435-0157, 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 4435-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4435-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4435-0157
  • 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 4435-0157 available by request