K407-0248 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(thiophen-2-yl)ethan-1-one

K407-0248 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(thiophen-2-yl)ethan-1-one
K407-0248 Screening compound: 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K407-0248
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-(thiophen-2-yl)ethan-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

K407-0248

Molecular Formula

C26H29NO4S (C26 H29 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCC(c(cc2OC)c(CC3)cc2OC)N3C(Cc2cccs2)=O)cc(C)c1

InChI

InChI=1S/C26H29NO4S/c1-17-10-18(2)12-20(11-17)31-16-23-22-15-25(30-4)24(29-3)13-19(22)7-8-27(23)26(28)14-21-6-5-9-32-21/h5-6,9-13,15,23H,7-8,14,16H2,1-4H3/t23-/m0/s1

InChI Key

XDRZVZOFYHRAHN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04412123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.46

Polar Surface Area

39.064

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with K407-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K407-0248?
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What is the minimum amount of K407-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K407-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K407-0248
  • 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 K407-0248 available by request