3343-3143 Screening compound: 2-({1-[3-(2-fluorophenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3343-3143 Screening compound: 2-({1-[3-(2-fluorophenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
3343-3143 Screening compound: 2-({1-[3-(2-fluorophenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3143
2-({1-[3-(2-fluorophenoxy)-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

3343-3143

Molecular Formula

C27H27FN2O4 (C27 H27 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(CN1CCC(CN(C(c2c3c4cccc3ccc2)=O)C4=O)CC1)COc(cccc1)c1F

InChI

InChI=1S/C27H27FN2O4/c28-23-9-1-2-10-24(23)34-17-20(31)16-29-13-11-18(12-14-29)15-30-26(32)21-7-3-5-19-6-4-8-22(25(19)21)27(30)33/h1-10,18,20,31H,11-17H2/t20-/m0/s1

InChI Key

KUNYJXUXNJLOLI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02181573

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-4.90

Polar Surface Area

56.792

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3343-3143 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 3343-3143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3143?
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What is the minimum amount of 3343-3143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3143
  • 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 3343-3143 available by request