8012-4754 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

8012-4754 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
8012-4754 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4754
1-(4-chlorophenyl)-6,7-diethoxy-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

8012-4754

Molecular Formula

C19H22ClNO2 (C19 H22 ClNO2)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-67-diethoxy-1234-tetrahydroisoquinoline

SMILES

CCOc1cc(CCNC2c(cc3)ccc3Cl)c2cc1OCC

InChI

InChI=1S/C19H22ClNO2/c1-3-22-17-11-14-9-10-21-19(13-5-7-15(20)8-6-13)16(14)12-18(17)23-4-2/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3/t19-/m0/s1

InChI Key

WEKALSXFBRPZOT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03017782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.84

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

2.942

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-3.56

Polar Surface Area

26.579

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8012-4754 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-4754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4754?
Check Price and Availability of 8012-4754, 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 8012-4754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4754
  • 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 8012-4754 available by request