8012-5539 Screening compound: 6,7-diethoxy-1-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinoline

8012-5539 Screening compound: 6,7-diethoxy-1-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinoline
8012-5539 Screening compound: 6,7-diethoxy-1-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5539
6,7-diethoxy-1-(naphthalen-2-yl)-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

8012-5539

Molecular Formula

C23H25NO2 (C23 H25 NO2)

Compound Name

6,7-diethoxy-1-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-diethoxy-1-(naphthalen-2-yl)-1234-tetrahydroisoquinoline

SMILES

CCOc(cc(CCNC1c2cc3ccccc3cc2)c1c1)c1OCC

InChI

InChI=1S/C23H25NO2/c1-3-25-21-14-18-11-12-24-23(20(18)15-22(21)26-4-2)19-10-9-16-7-5-6-8-17(16)13-19/h5-10,13-15,23-24H,3-4,11-12H2,1-2H3/t23-/m0/s1

InChI Key

MNKDJXAYPKSZHU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03036476

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-4.04

Polar Surface Area

26.307

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8012-5539 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-5539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5539?
Check Price and Availability of 8012-5539, 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 8012-5539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5539
  • 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 8012-5539 available by request