V004-3689 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide

V004-3689 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
V004-3689 Screening compound: 2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3689
2-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyridin-2-yl)ethyl]-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

V004-3689

Molecular Formula

C33H36N4O4 (C33 H36 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1nc(C(NCCc3ncccc3)=O)co1)c2)=O

InChI

InChI=1S/C33H36N4O4/c1-22(2)18-31(38)37-17-14-24-11-12-27(19-28(24)32(37)25-9-7-23(3)8-10-25)40-21-30-36-29(20-41-30)33(39)35-16-13-26-6-4-5-15-34-26/h4-12,15,19-20,22,32H,13-14,16-18,21H2,1-3H3,(H,35,39)/t32-/m0/s1

InChI Key

OOGAUAHWNXPHHD-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19917531

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-4.99

Polar Surface Area

75.037

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V004-3689 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V004-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3689?
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What is the minimum amount of V004-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3689
  • 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 V004-3689 available by request