3343-3035 Screening compound: 2-[(1-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-4-piperidyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

3343-3035 Screening compound: 2-[(1-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-4-piperidyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
3343-3035 Screening compound: 2-[(1-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-4-piperidyl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3035
2-[(1-{3-[(4-chlorobenzyl)oxy]-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

3343-3035

Molecular Formula

C28H29ClN2O4 (C28 H29 ClN2 O4)

Compound Name

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

IUPAC name

3-[(1-{3-[(4-chlorophenyl)methoxy]-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)COCc(cc1)ccc1Cl

InChI

InChI=1S/C28H29ClN2O4/c29-22-9-7-20(8-10-22)17-35-18-23(32)16-30-13-11-19(12-14-30)15-31-27(33)24-5-1-3-21-4-2-6-25(26(21)24)28(31)34/h1-10,19,23,32H,11-18H2/t23-/m0/s1

InChI Key

MKDLEBQTQGVVMI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02943431

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

493

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

4.754

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-4.99

Polar Surface Area

57.640

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

3343-3035 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 3343-3035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3035?
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What is the minimum amount of 3343-3035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3035
  • 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 3343-3035 available by request