V017-5386 Screening compound: 2-{[2-CYCLOPROPANECARBONYL-1-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-N-[2-(DIMETHYLAMINO)ETHYL]BUTANAMIDE

V017-5386 Screening compound: 2-{[2-CYCLOPROPANECARBONYL-1-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-N-[2-(DIMETHYLAMINO)ETHYL]BUTANAMIDE
V017-5386 Screening compound: 2-{[2-CYCLOPROPANECARBONYL-1-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-N-[2-(DIMETHYLAMINO)ETHYL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5386
2-{[2-CYCLOPROPANECARBONYL-1-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-N-[2-(DIMETHYLAMINO)ETHYL]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

V017-5386

Molecular Formula

C28H37N3O3 (C28 H37 N3 O3)

Compound Name

2-{[2-CYCLOPROPANECARBONYL-1-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]OXY}-N-[2-(DIMETHYLAMINO)ETHYL]BUTANAMIDE

IUPAC name

2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(dimethylamino)ethyl]butanamide

SMILES

CCC(C(NCCN(C)C)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(C3CC3)=O)c2cc1

InChI

InChI=1S/C28H37N3O3/c1-5-25(27(32)29-15-17-30(3)4)34-23-13-12-20-14-16-31(28(33)22-10-11-22)26(24(20)18-23)21-8-6-19(2)7-9-21/h6-9,12-13,18,22,25-26H,5,10-11,14-17H2,1-4H3,(H,29,32)

InChI Key

QFIGXLQCEJWCTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-4.26

Polar Surface Area

51.449

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V017-5386 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V017-5386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5386?
Check Price and Availability of V017-5386, 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 V017-5386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5386
  • 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 V017-5386 available by request