K407-0564 Screening compound: methyl 4-{[2-(4-bromobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0564 Screening compound: methyl 4-{[2-(4-bromobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0564 Screening compound: methyl 4-{[2-(4-bromobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0564
methyl 4-{[2-(4-bromobenzoyl)-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

K407-0564

Molecular Formula

C27H26BrNO6 (C27 H26 BrNO6)

Compound Name

methyl 4-{[2-(4-bromobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

IUPAC name

methyl 4-{[2-(4-bromobenzoyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}benzoate

SMILES

COC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C27H26BrNO6/c1-32-24-14-19-12-13-29(26(30)17-4-8-20(28)9-5-17)23(22(19)15-25(24)33-2)16-35-21-10-6-18(7-11-21)27(31)34-3/h4-11,14-15,23H,12-13,16H2,1-3H3/t23-/m0/s1

InChI Key

OANOQEMWJRNNIJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04412244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.97

Polar Surface Area

59.747

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K407-0564 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K407-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0564?
Check Price and Availability of K407-0564, 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 K407-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0564
  • 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 K407-0564 available by request