V016-6499 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-chlorophenyl)acetamide

V016-6499 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-chlorophenyl)acetamide
V016-6499 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6499
2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(3-chlorophenyl)acetamide

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

V016-6499

Molecular Formula

C30H27ClN2O2 (C30 H27 ClN2 O2)

Compound Name

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

IUPAC name

2-[(2-benzyl-1-phenyl-1234-tetrahydroisoquinolin-7-yl)oxy]-N-(3-chlorophenyl)acetamide

SMILES

O=C(COc1cc(C(c2ccccc2)N(Cc2ccccc2)CC2)c2cc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C30H27ClN2O2/c31-25-12-7-13-26(18-25)32-29(34)21-35-27-15-14-23-16-17-33(20-22-8-3-1-4-9-22)30(28(23)19-27)24-10-5-2-6-11-24/h1-15,18-19,30H,16-17,20-21H2,(H,32,34)/t30-/m0/s1

InChI Key

ZSUHCCPUVHXXBS-PMERELPUSA-N

MDL Number (MFCD)

MFCD19916052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.064

Distribution Coefficient, logD

6.159

Water Solubility, LogSw

-6.49

Polar Surface Area

33.488

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

V016-6499 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-6499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6499?
Check Price and Availability of V016-6499, 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 V016-6499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6499
  • 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 V016-6499 available by request