3343-2993 Screening compound: 2-({1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

3343-2993 Screening compound: 2-({1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
3343-2993 Screening compound: 2-({1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-4-piperidyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-2993
2-({1-[3-(2,4-dimethylphenoxy)-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

3343-2993

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1OCC(CN1CCC(CN(C(c2c3c4cccc3ccc2)=O)C4=O)CC1)O

InChI

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

InChI Key

SQOFOAUCCPBVQO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02943439

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.637

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-6.30

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

37.90

3343-2993 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3343-2993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-2993?
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What is the minimum amount of 3343-2993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-2993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-2993
  • 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 3343-2993 available by request