8009-6205 Screening compound: 2-(3,3-diphenylpropyl)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol

8009-6205 Screening compound: 2-(3,3-diphenylpropyl)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol
8009-6205 Screening compound: 2-(3,3-diphenylpropyl)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6205
2-(3,3-diphenylpropyl)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol

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

8009-6205

Molecular Formula

C28H33NO3 (C28 H33 NO3)

Compound Name

2-(3,3-diphenylpropyl)-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-ol

IUPAC name

2-(33-diphenylpropyl)-67-dimethoxy-33-dimethyl-1234-tetrahydroisoquinolin-4-ol

SMILES

CC(C)(C(c1c2)O)N(CCC(c3ccccc3)c3ccccc3)Cc1cc(OC)c2OC

InChI

InChI=1S/C28H33NO3/c1-28(2)27(30)24-18-26(32-4)25(31-3)17-22(24)19-29(28)16-15-23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,17-18,23,27,30H,15-16,19H2,1-4H3/t27-/m1/s1

InChI Key

LWHIZVSTKKDMAP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD00319679

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-5.03

Polar Surface Area

33.218

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

8009-6205 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-6205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6205?
Check Price and Availability of 8009-6205, 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 8009-6205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6205
  • 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 8009-6205 available by request