K407-0536 Screening compound: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

K407-0536 Screening compound: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
K407-0536 Screening compound: 1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0536
1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

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

K407-0536

Molecular Formula

C28H32N2O4 (C28 H32 N2 O4)

Compound Name

1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

1-[(35-dimethylphenoxy)methyl]-67-dimethoxy-N-(3-methylphenyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

Cc1cccc(NC(N(CC2)C(COc3cc(C)cc(C)c3)c(cc3OC)c2cc3OC)=O)c1

InChI

InChI=1S/C28H32N2O4/c1-18-7-6-8-22(12-18)29-28(31)30-10-9-21-15-26(32-4)27(33-5)16-24(21)25(30)17-34-23-13-19(2)11-20(3)14-23/h6-8,11-16,25H,9-10,17H2,1-5H3,(H,29,31)/t25-/m0/s1

InChI Key

GQHGOFQFPRQMKZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04412127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.580

Water Solubility, LogSw

-5.39

Polar Surface Area

47.394

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with K407-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0536?
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What is the minimum amount of K407-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0536
  • 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 K407-0536 available by request