V004-2329 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide

V004-2329 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide
V004-2329 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2329
5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide

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

V004-2329

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide

IUPAC name

5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-cyclopropylfuran-2-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(NC5CC5)=O)o4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C29H30N2O4/c1-18-2-4-20(5-3-18)27-25-16-23(11-8-19(25)14-15-31(27)29(33)21-6-7-21)34-17-24-12-13-26(35-24)28(32)30-22-9-10-22/h2-5,8,11-13,16,21-22,27H,6-7,9-10,14-15,17H2,1H3,(H,30,32)/t27-/m0/s1

InChI Key

PPEHGRSGCQWACT-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19917584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.36

Polar Surface Area

55.923

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V004-2329 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 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 V004-2329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2329?
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What is the minimum amount of V004-2329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2329
  • 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 V004-2329 available by request