3343-3136 Screening compound: 2-({1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3343-3136 Screening compound: 2-({1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
3343-3136 Screening compound: 2-({1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3136
2-({1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-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

3343-3136

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

2-({1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

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

SMILES

CCc(cc1)ccc1OCC(CN1CCC(CN(C(c2c3c4cccc3ccc2)=O)C4=O)CC1)O

InChI

InChI=1S/C29H32N2O4/c1-2-20-9-11-24(12-10-20)35-19-23(32)18-30-15-13-21(14-16-30)17-31-28(33)25-7-3-5-22-6-4-8-26(27(22)25)29(31)34/h3-12,21,23,32H,2,13-19H2,1H3/t23-/m0/s1

InChI Key

MIONKLYTTFVJFE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02943450

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-5.95

Polar Surface Area

56.705

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

3343-3136 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3343-3136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3136?
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What is the minimum amount of 3343-3136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3136
  • 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 3343-3136 available by request