V017-4746 Screening compound: N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide

V017-4746 Screening compound: N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
V017-4746 Screening compound: N-[(furan-2-yl)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 V017-4746
N-[(furan-2-yl)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

V017-4746

Molecular Formula

C28H32N2O4 (C28 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc1ccco1)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(CC)=O)c2cc1

InChI

InChI=1S/C28H32N2O4/c1-4-25(28(32)29-18-23-7-6-16-33-23)34-22-13-12-20-14-15-30(26(31)5-2)27(24(20)17-22)21-10-8-19(3)9-11-21/h6-13,16-17,25,27H,4-5,14-15,18H2,1-3H3,(H,29,32)

InChI Key

SFOJEDAVNAZBCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.35

Polar Surface Area

54.440

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.71

V017-4746 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-4746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4746?
Check Price and Availability of V017-4746, 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 V017-4746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4746
  • 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 V017-4746 available by request