K407-0479 Screening compound: ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate

K407-0479 Screening compound: ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
K407-0479 Screening compound: ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0479
ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)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

K407-0479

Molecular Formula

C29H30FNO6 (C29 H30 FNO6)

Compound Name

ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate

IUPAC name

ethyl 4-({2-[2-(4-fluorophenyl)acetyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}methoxy)benzoate

SMILES

CCOC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C29H30FNO6/c1-4-36-29(33)20-7-11-23(12-8-20)37-18-25-24-17-27(35-3)26(34-2)16-21(24)13-14-31(25)28(32)15-19-5-9-22(30)10-6-19/h5-12,16-17,25H,4,13-15,18H2,1-3H3/t25-/m0/s1

InChI Key

XMDXGXWKCGOKCK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04412301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-4.61

Polar Surface Area

58.800

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

K407-0479 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K407-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0479?
Check Price and Availability of K407-0479, 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 K407-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0479
  • 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 K407-0479 available by request