V004-5825 Screening compound: N-benzyl-2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carboxamide

V004-5825 Screening compound: N-benzyl-2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carboxamide
V004-5825 Screening compound: N-benzyl-2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5825
N-benzyl-2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}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

V004-5825

Molecular Formula

C33H35N3O4 (C33 H35 N3 O4)

Compound Name

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

IUPAC name

N-benzyl-2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-13-oxazole-4-carboxamide

SMILES

CC(C)CC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1nc(C(NCc3ccccc3)=O)co1)c2)=O

InChI

InChI=1S/C33H35N3O4/c1-22(2)17-31(37)36-16-15-25-13-14-27(18-28(25)32(36)26-11-9-23(3)10-12-26)39-21-30-35-29(20-40-30)33(38)34-19-24-7-5-4-6-8-24/h4-14,18,20,22,32H,15-17,19,21H2,1-3H3,(H,34,38)/t32-/m0/s1

InChI Key

LXHOHHQRAMGNHL-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19917534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.237

Distribution Coefficient, logD

6.237

Water Solubility, LogSw

-5.45

Polar Surface Area

65.652

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with V004-5825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5825?
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What is the minimum amount of V004-5825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5825
  • 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 V004-5825 available by request