V004-7045 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V004-7045 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V004-7045 Screening compound: 2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7045
2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-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

V004-7045

Molecular Formula

C32H33N3O5 (C32 H33 N3 O5)

Compound Name

2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4nc(C(NCc5ccco5)=O)co4)c2)N3C(C2CCCC2)=O)cc1

InChI

InChI=1S/C32H33N3O5/c1-21-8-10-23(11-9-21)30-27-17-25(13-12-22(27)14-15-35(30)32(37)24-5-2-3-6-24)39-20-29-34-28(19-40-29)31(36)33-18-26-7-4-16-38-26/h4,7-13,16-17,19,24,30H,2-3,5-6,14-15,18,20H2,1H3,(H,33,36)/t30-/m0/s1

InChI Key

AAKMKXUWOWYSSX-PMERELPUSA-N

MDL Number (MFCD)

MFCD19917615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.158

Distribution Coefficient, logD

6.158

Water Solubility, LogSw

-5.34

Polar Surface Area

74.215

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V004-7045 in Drug Discovery

Included in Screening Libraries

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 V004-7045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7045?
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What is the minimum amount of V004-7045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7045
  • 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 V004-7045 available by request