8012-5398 Screening compound: 1-(2,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

8012-5398 Screening compound: 1-(2,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
8012-5398 Screening compound: 1-(2,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5398
1-(2,4-dimethylphenyl)-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

8012-5398

Molecular Formula

C21H27NO2 (C21 H27 NO2)

Compound Name

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

IUPAC name

1-(24-dimethylphenyl)-67-diethoxy-1234-tetrahydroisoquinoline

SMILES

CCOc(cc(CCNC1c2c(C)cc(C)cc2)c1c1)c1OCC

InChI

InChI=1S/C21H27NO2/c1-5-23-19-12-16-9-10-22-21(18(16)13-20(19)24-6-2)17-8-7-14(3)11-15(17)4/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3/t21-/m0/s1

InChI Key

XCIQZOZFZZVHLG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03018046

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.45

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

3.525

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-3.47

Polar Surface Area

26.579

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8012-5398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5398?
Check Price and Availability of 8012-5398, 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 8012-5398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5398
  • 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 8012-5398 available by request