8012-7141 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethylphenol

8012-7141 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethylphenol
8012-7141 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7141
4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethylphenol

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

8012-7141

Molecular Formula

C21H27NO3 (C21 H27 NO3)

Compound Name

4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethylphenol

IUPAC name

4-(67-diethoxy-1234-tetrahydroisoquinolin-1-yl)-26-dimethylphenol

SMILES

CCOc(cc(CCNC1c(cc2C)cc(C)c2O)c1c1)c1OCC

InChI

InChI=1S/C21H27NO3/c1-5-24-18-11-15-7-8-22-20(17(15)12-19(18)25-6-2)16-9-13(3)21(23)14(4)10-16/h9-12,20,22-23H,5-8H2,1-4H3/t20-/m0/s1

InChI Key

NQOWXNNPHFBNDI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03034904

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

-0.076

Water Solubility, LogSw

-2.20

Polar Surface Area

42.058

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8012-7141 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8012-7141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7141?
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What is the minimum amount of 8012-7141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7141
  • 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 8012-7141 available by request