8012-7108 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid

8012-7108 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid
8012-7108 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7108
4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid

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

8012-7108

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

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

IUPAC name

4-(67-diethoxy-1234-tetrahydroisoquinolin-1-yl)benzoic acid

SMILES

CCOc1cc(CCNC2c(cc3)ccc3C(O)=O)c2cc1OCC

InChI

InChI=1S/C20H23NO4/c1-3-24-17-11-15-9-10-21-19(16(15)12-18(17)25-4-2)13-5-7-14(8-6-13)20(22)23/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3,(H,22,23)/t19-/m0/s1

InChI Key

JEFWFORHNKXGAL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03034875

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-2.83

Polar Surface Area

54.987

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8012-7108 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-7108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7108?
Check Price and Availability of 8012-7108, 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 8012-7108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7108
  • 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 8012-7108 available by request