8011-6582 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

8011-6582 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
8011-6582 Screening compound: 1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6582
1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

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

8011-6582

Molecular Formula

C21H27NO2 (C21 H27 NO2)

Compound Name

1-(4-tert-butylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-tert-butylphenyl)-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

CC(C)(C)c1ccc(C(c2c3)NCCc2cc(OC)c3OC)cc1

InChI

InChI=1S/C21H27NO2/c1-21(2,3)16-8-6-14(7-9-16)20-17-13-19(24-5)18(23-4)12-15(17)10-11-22-20/h6-9,12-13,20,22H,10-11H2,1-5H3/t20-/m0/s1

InChI Key

CSOOWMINZBTBLR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02932920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-4.02

Polar Surface Area

27.419

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8011-6582 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-6582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6582?
Check Price and Availability of 8011-6582, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8011-6582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6582
  • 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 8011-6582 available by request