3381-0547 Screening compound: 1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-[(4-METHOXYPHENYL)METHYL]PIPERAZINE

3381-0547 Screening compound: 1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-[(4-METHOXYPHENYL)METHYL]PIPERAZINE
3381-0547 Screening compound: 1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-[(4-METHOXYPHENYL)METHYL]PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0547
1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-[(4-METHOXYPHENYL)METHYL]PIPERAZINE

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

3381-0547

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-4-[(4-METHOXYPHENYL)METHYL]PIPERAZINE

IUPAC name

n/a

SMILES

COc1ccc(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)cc1

InChI

InChI=1S/C20H24N2O3/c1-23-18-5-2-16(3-6-18)13-21-8-10-22(11-9-21)14-17-4-7-19-20(12-17)25-15-24-19/h2-7,12H,8-11,13-15H2,1H3

InChI Key

QNBFSPUDPMWLDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825710

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

1.826

Water Solubility, LogSw

-3.03

Polar Surface Area

32.171

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3381-0547 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3381-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0547?
Check Price and Availability of 3381-0547, 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 3381-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0547
  • 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 3381-0547 available by request