8012-9869 Screening compound: 6,7-dimethoxy-3,3-dimethyl-1-propyl-3,4-dihydroisoquinoline

8012-9869 Screening compound: 6,7-dimethoxy-3,3-dimethyl-1-propyl-3,4-dihydroisoquinoline
8012-9869 Screening compound: 6,7-dimethoxy-3,3-dimethyl-1-propyl-3,4-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9869
6,7-dimethoxy-3,3-dimethyl-1-propyl-3,4-dihydroisoquinoline

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

8012-9869

Molecular Formula

C16H23NO2 (C16 H23 NO2)

Compound Name

6,7-dimethoxy-3,3-dimethyl-1-propyl-3,4-dihydroisoquinoline

IUPAC name

67-dimethoxy-33-dimethyl-1-propyl-34-dihydroisoquinoline

SMILES

CCCC(c1c2)=NC(C)(C)Cc1cc(OC)c2OC

InChI

InChI=1S/C16H23NO2/c1-6-7-13-12-9-15(19-5)14(18-4)8-11(12)10-16(2,3)17-13/h8-9H,6-7,10H2,1-5H3

InChI Key

QKJHPSWKJSFXRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932567

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

261.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.67

Polar Surface Area

23.275

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

8012-9869 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8012-9869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9869?
Check Price and Availability of 8012-9869, 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 8012-9869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9869
  • 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 8012-9869 available by request