C199-0071 Screening compound: 7-{[2-(4-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

C199-0071 Screening compound: 7-{[2-(4-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one
C199-0071 Screening compound: 7-{[2-(4-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C199-0071
7-{[2-(4-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

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

C199-0071

Molecular Formula

C29H26ClNO6 (C29 H26 ClNO6)

Compound Name

7-{[2-(4-chlorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

IUPAC name

7-{[2-(4-chlorobenzoyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

SMILES

CC(c(ccc(OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cc1)ccc1Cl)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C29H26ClNO6/c1-17-12-28(32)37-25-14-21(8-9-22(17)25)36-16-24-23-15-27(35-3)26(34-2)13-19(23)10-11-31(24)29(33)18-4-6-20(30)7-5-18/h4-9,12-15,24H,10-11,16H2,1-3H3/t24-/m0/s1

InChI Key

ZQCBTGVBMDSLNW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04414550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.86

Polar Surface Area

58.981

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

C199-0071 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C199-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0071?
Check Price and Availability of C199-0071, 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 C199-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0071
  • 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 C199-0071 available by request