V015-2089 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one

V015-2089 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one
V015-2089 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2089
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one

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

V015-2089

Molecular Formula

C27H26F3NO3 (C27 H26 F3 NO3)

Compound Name

1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one

IUPAC name

1-{67-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinolin-2-yl}-3-phenylpropan-1-one

SMILES

COc1cc(CCN(C2c3cccc(C(F)(F)F)c3)C(CCc3ccccc3)=O)c2cc1OC

InChI

InChI=1S/C27H26F3NO3/c1-33-23-16-19-13-14-31(25(32)12-11-18-7-4-3-5-8-18)26(22(19)17-24(23)34-2)20-9-6-10-21(15-20)27(28,29)30/h3-10,15-17,26H,11-14H2,1-2H3/t26-/m0/s1

InChI Key

CRZFZKWOZKKZNJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD19957524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.61

Polar Surface Area

30.595

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V015-2089 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with V015-2089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2089?
Check Price and Availability of V015-2089, 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 V015-2089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2089
  • 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 V015-2089 available by request