V007-1716 Screening compound: ethyl 5-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-oxopentanoate

V007-1716 Screening compound: ethyl 5-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-oxopentanoate
V007-1716 Screening compound: ethyl 5-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1716
ethyl 5-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-oxopentanoate

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

V007-1716

Molecular Formula

C25H28F3NO5 (C25 H28 F3 NO5)

Compound Name

ethyl 5-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-5-oxopentanoate

IUPAC name

n/a

SMILES

CCOC(CCCC(N(CC1)C(c2cccc(C(F)(F)F)c2)c(cc2OC)c1cc2OC)=O)=O

InChI

InChI=1S/C25H28F3NO5/c1-4-34-23(31)10-6-9-22(30)29-12-11-16-14-20(32-2)21(33-3)15-19(16)24(29)17-7-5-8-18(13-17)25(26,27)28/h5,7-8,13-15,24H,4,6,9-12H2,1-3H3/t24-/m0/s1

InChI Key

LFQJNSYZLGQEPF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19957545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.32

Polar Surface Area

51.025

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V007-1716 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-1716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1716?
Check Price and Availability of V007-1716, 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 V007-1716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1716
  • 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 V007-1716 available by request