V008-5850 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

V008-5850 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
V008-5850 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5850
3-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1,2,3,4-tetrahydroisoquinoline-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

V008-5850

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-oxo-N-(3-phenylpropyl)-2-propyl-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CCCN(C(C(C(NCCCc1ccccc1)=O)c1c2cccc1)c(cc1)cc3c1OCO3)C2=O

InChI

InChI=1S/C29H30N2O4/c1-2-17-31-27(21-14-15-24-25(18-21)35-19-34-24)26(22-12-6-7-13-23(22)29(31)33)28(32)30-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,18,26-27H,2,8,11,16-17,19H2,1H3,(H,30,32)

InChI Key

QVYAGKAFYCTPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.20

Polar Surface Area

57.271

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

V008-5850 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-5850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5850?
Check Price and Availability of V008-5850, 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 V008-5850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5850
  • 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 V008-5850 available by request