V003-7868 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide

V003-7868 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide
V003-7868 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7868
2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide

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

V003-7868

Molecular Formula

C27H30N2O2 (C27 H30 N2 O2)

Compound Name

2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide

IUPAC name

2-[(2-benzyl-1-phenyl-1234-tetrahydroisoquinolin-7-yl)oxy]-N-propylacetamide

SMILES

CCCNC(COc1cc(C(c2ccccc2)N(Cc2ccccc2)CC2)c2cc1)=O

InChI

InChI=1S/C27H30N2O2/c1-2-16-28-26(30)20-31-24-14-13-22-15-17-29(19-21-9-5-3-6-10-21)27(25(22)18-24)23-11-7-4-8-12-23/h3-14,18,27H,2,15-17,19-20H2,1H3,(H,28,30)/t27-/m0/s1

InChI Key

XXHFPQOSQRWDOY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19898378

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.901

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.61

Polar Surface Area

34.923

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.63

V003-7868 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V003-7868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7868?
Check Price and Availability of V003-7868, 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 V003-7868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7868
  • 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 V003-7868 available by request