K407-0116 Screening compound: 1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2,2-dimethylpropan-1-one

K407-0116 Screening compound: 1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2,2-dimethylpropan-1-one
K407-0116 Screening compound: 1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2,2-dimethylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0116
1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2,2-dimethylpropan-1-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

K407-0116

Molecular Formula

C24H31NO5 (C24 H31 NO5)

Compound Name

1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2,2-dimethylpropan-1-one

IUPAC name

1-{67-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1234-tetrahydroisoquinolin-2-yl}-22-dimethylpropan-1-one

SMILES

CC(C)(C)C(N(CC1)C(COc(cc2)ccc2OC)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H31NO5/c1-24(2,3)23(26)25-12-11-16-13-21(28-5)22(29-6)14-19(16)20(25)15-30-18-9-7-17(27-4)8-10-18/h7-10,13-14,20H,11-12,15H2,1-6H3/t20-/m0/s1

InChI Key

QWSNIQMGEOQTBP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04411881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.09

Polar Surface Area

46.389

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

K407-0116 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K407-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0116?
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What is the minimum amount of K407-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0116
  • 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 K407-0116 available by request