8012-7096 Screening compound: 1-(1-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1-cyclohexanol

8012-7096 Screening compound: 1-(1-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1-cyclohexanol
8012-7096 Screening compound: 1-(1-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7096
1-(1-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1-cyclohexanol

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

8012-7096

Molecular Formula

C16H23NO (C16 H23 NO)

Compound Name

1-(1-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1-cyclohexanol

IUPAC name

1-(1-methyl-1234-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol

SMILES

CC1(C2(CCCCC2)O)NCCc2c1cccc2

InChI

InChI=1S/C16H23NO/c1-15(16(18)10-5-2-6-11-16)14-8-4-3-7-13(14)9-12-17-15/h3-4,7-8,17-18H,2,5-6,9-12H2,1H3/t15-/m1/s1

InChI Key

VMXYNNOLPQQSFF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03034863

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

245.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-3.23

Polar Surface Area

27.246

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

8012-7096 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-7096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7096?
Check Price and Availability of 8012-7096, 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 8012-7096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7096
  • 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 8012-7096 available by request