K407-0205 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-methylpropan-1-one

K407-0205 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-methylpropan-1-one
K407-0205 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0205
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-methylpropan-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

K407-0205

Molecular Formula

C24H31NO4 (C24 H31 NO4)

Compound Name

1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-methylpropan-1-one

IUPAC name

1-{1-[(35-dimethylphenoxy)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-2-yl}-2-methylpropan-1-one

SMILES

CC(C)C(N(CC1)C(COc2cc(C)cc(C)c2)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C24H31NO4/c1-15(2)24(26)25-8-7-18-12-22(27-5)23(28-6)13-20(18)21(25)14-29-19-10-16(3)9-17(4)11-19/h9-13,15,21H,7-8,14H2,1-6H3/t21-/m0/s1

InChI Key

UVKJDHDCKSVCDP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05023310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.27

Polar Surface Area

38.845

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

K407-0205 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K407-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0205?
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What is the minimum amount of K407-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0205
  • 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 K407-0205 available by request