8012-4885 Screening compound: 6,7-diethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

8012-4885 Screening compound: 6,7-diethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
8012-4885 Screening compound: 6,7-diethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4885
6,7-diethoxy-1-[3-(trifluoromethyl)phenyl]-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

8012-4885

Molecular Formula

C20H22F3NO2 (C20 H22 F3 NO2)

Compound Name

6,7-diethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-diethoxy-1-[3-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline

SMILES

CCOc1cc(CCNC2c3cccc(C(F)(F)F)c3)c2cc1OCC

InChI

InChI=1S/C20H22F3NO2/c1-3-25-17-11-13-8-9-24-19(16(13)12-18(17)26-4-2)14-6-5-7-15(10-14)20(21,22)23/h5-7,10-12,19,24H,3-4,8-9H2,1-2H3/t19-/m0/s1

InChI Key

GIAAWMMXZKYCJX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03017866

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

365.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-3.45

Polar Surface Area

26.579

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8012-4885 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8012-4885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4885?
Check Price and Availability of 8012-4885, 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 8012-4885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4885
  • 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 8012-4885 available by request