V004-3179 Screening compound: N-benzyl-N-methyl-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide

V004-3179 Screening compound: N-benzyl-N-methyl-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
V004-3179 Screening compound: N-benzyl-N-methyl-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3179
N-benzyl-N-methyl-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide

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

V004-3179

Molecular Formula

C31H36N2O3 (C31 H36 N2 O3)

Compound Name

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

IUPAC name

N-benzyl-N-methyl-2-{[1-(4-methylphenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}butanamide

SMILES

CCC(C(N(C)Cc1ccccc1)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(CC)=O)c2cc1

InChI

InChI=1S/C31H36N2O3/c1-5-28(31(35)32(4)21-23-10-8-7-9-11-23)36-26-17-16-24-18-19-33(29(34)6-2)30(27(24)20-26)25-14-12-22(3)13-15-25/h7-17,20,28,30H,5-6,18-19,21H2,1-4H3

InChI Key

LCQLSBULSXMUOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-5.65

Polar Surface Area

38.428

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

V004-3179 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-3179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3179?
Check Price and Availability of V004-3179, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-3179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3179
  • 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 V004-3179 available by request