V017-2774 Screening compound: 2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one

V017-2774 Screening compound: 2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
V017-2774 Screening compound: 2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2774
2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-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

V017-2774

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

2-{[2-(furan-2-carbonyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-{[2-(furan-2-carbonyl)-1-phenyl-1234-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(COc1cc(C(c2ccccc2)N(CC2)C(c3ccco3)=O)c2cc1)N1CCCC1

InChI

InChI=1S/C26H26N2O4/c29-24(27-13-4-5-14-27)18-32-21-11-10-19-12-15-28(26(30)23-9-6-16-31-23)25(22(19)17-21)20-7-2-1-3-8-20/h1-3,6-11,16-17,25H,4-5,12-15,18H2/t25-/m0/s1

InChI Key

QPHVHSFNPGYIBX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19917158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.00

Polar Surface Area

48.426

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V017-2774 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-2774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2774?
Check Price and Availability of V017-2774, 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 V017-2774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2774
  • 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 V017-2774 available by request