8012-5707 Screening compound: 2-(6,7-diethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)phenyl methyl ether

8012-5707 Screening compound: 2-(6,7-diethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)phenyl methyl ether
8012-5707 Screening compound: 2-(6,7-diethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5707
2-(6,7-diethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)phenyl methyl ether

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

8012-5707

Molecular Formula

C20H25NO3 (C20 H25 NO3)

Compound Name

2-(6,7-diethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)phenyl methyl ether

IUPAC name

67-diethoxy-1-(2-methoxyphenyl)-1234-tetrahydroisoquinoline

SMILES

CCOc(cc(CCNC1c(cccc2)c2OC)c1c1)c1OCC

InChI

InChI=1S/C20H25NO3/c1-4-23-18-12-14-10-11-21-20(16(14)13-19(18)24-5-2)15-8-6-7-9-17(15)22-3/h6-9,12-13,20-21H,4-5,10-11H2,1-3H3/t20-/m0/s1

InChI Key

ZARLDHFDKDBTSW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03036624

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

0.364

Water Solubility, LogSw

-2.82

Polar Surface Area

34.209

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8012-5707 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 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 8012-5707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5707?
Check Price and Availability of 8012-5707, 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 8012-5707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5707
  • 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 8012-5707 available by request