K407-0539 Screening compound: methyl 4-{[2-(2-chloro-6-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate

K407-0539 Screening compound: methyl 4-{[2-(2-chloro-6-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
K407-0539 Screening compound: methyl 4-{[2-(2-chloro-6-fluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0539
methyl 4-{[2-(2-chloro-6-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

K407-0539

Molecular Formula

C27H25ClFNO6 (C27 H25 ClFNO6)

Compound Name

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

IUPAC name

methyl 4-{[2-(2-chloro-6-fluorobenzoyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}benzoate

SMILES

COC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(c(F)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C27H25ClFNO6/c1-33-23-13-17-11-12-30(26(31)25-20(28)5-4-6-21(25)29)22(19(17)14-24(23)34-2)15-36-18-9-7-16(8-10-18)27(32)35-3/h4-10,13-14,22H,11-12,15H2,1-3H3/t22-/m0/s1

InChI Key

CKFBYRZAUDARAT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04412265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.95

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

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-5.02

Polar Surface Area

59.747

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K407-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0539?
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What is the minimum amount of K407-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0539
  • 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 K407-0539 available by request