3343-2958 Screening compound: 2-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3343-2958 Screening compound: 2-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
3343-2958 Screening compound: 2-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-2958
2-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

3343-2958

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

2-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-({1-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperidin-4-yl}methyl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

COc1cccc(OCC(CN2CCC(CN(C(c3c4c5cccc4ccc3)=O)C5=O)CC2)O)c1

InChI

InChI=1S/C28H30N2O5/c1-34-22-7-4-8-23(15-22)35-18-21(31)17-29-13-11-19(12-14-29)16-30-27(32)24-9-2-5-20-6-3-10-25(26(20)24)28(30)33/h2-10,15,19,21,31H,11-14,16-18H2,1H3/t21-/m0/s1

InChI Key

UXEFRWPQRRAVAY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09972370

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-4.73

Polar Surface Area

64.249

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

3343-2958 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3343-2958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-2958?
Check Price and Availability of 3343-2958, 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 3343-2958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-2958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-2958
  • 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 3343-2958 available by request