V023-4071 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide

V023-4071 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide
V023-4071 Screening compound: 2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4071
2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide

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

V023-4071

Molecular Formula

C29H30N2O3 (C29 H30 N2 O3)

Compound Name

2-{[2-benzoyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide

IUPAC name

2-{[2-benzoyl-1-(3-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)propanamide

SMILES

CC(C(NCC=C)=O)Oc1cc(C(c2cc(C)ccc2)N(CC2)C(c3ccccc3)=O)c2cc1

InChI

InChI=1S/C29H30N2O3/c1-4-16-30-28(32)21(3)34-25-14-13-22-15-17-31(29(33)23-10-6-5-7-11-23)27(26(22)19-25)24-12-8-9-20(2)18-24/h4-14,18-19,21,27H,1,15-17H2,2-3H3,(H,30,32)

InChI Key

PDRVBCBQLQBRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19917259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.23

Polar Surface Area

47.177

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V023-4071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4071?
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What is the minimum amount of V023-4071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4071
  • 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 V023-4071 available by request