K407-0291 Screening compound: methyl 4-{[2-(2-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0291 Screening compound: methyl 4-{[2-(2-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0291 Screening compound: methyl 4-{[2-(2-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0291
methyl 4-{[2-(2-fluorobenzoyl)-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

K407-0291

Molecular Formula

C27H26FNO6 (C27 H26 FNO6)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C27H26FNO6/c1-32-24-14-18-12-13-29(26(30)20-6-4-5-7-22(20)28)23(21(18)15-25(24)33-2)16-35-19-10-8-17(9-11-19)27(31)34-3/h4-11,14-15,23H,12-13,16H2,1-3H3/t23-/m0/s1

InChI Key

JJVBUJORMIRZRJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04412270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

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

4.313

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.27

Polar Surface Area

59.747

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K407-0291 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K407-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0291?
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What is the minimum amount of K407-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0291
  • 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 K407-0291 available by request