V023-8016 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide

V023-8016 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide
V023-8016 Screening compound: 2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8016
2-[(2-benzyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-(prop-2-en-1-yl)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

V023-8016

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H28N2O2/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/h2-14,18,27H,1,15-17,19-20H2,(H,28,30)/t27-/m0/s1

InChI Key

QANWRUIZAUTPMR-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19898382

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.53

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

4.568

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.47

Polar Surface Area

34.923

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V023-8016 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V023-8016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8016?
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What is the minimum amount of V023-8016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8016
  • 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 V023-8016 available by request