4802-0065 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)piperazine

4802-0065 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)piperazine
4802-0065 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0065
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)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

4802-0065

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(2-methoxybenzoyl)piperazine

SMILES

COc(cccc1)c1C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C20H22N2O4/c1-24-17-5-3-2-4-16(17)20(23)22-10-8-21(9-11-22)13-15-6-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3

InChI Key

OJTYWARUNJZXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01089869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-2.93

Polar Surface Area

45.173

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4802-0065 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 4802-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0065?
Check Price and Availability of 4802-0065, 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 4802-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0065
  • 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 4802-0065 available by request