4092-0317 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzoyl)piperazine

4092-0317 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzoyl)piperazine
4092-0317 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0317
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzoyl)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

4092-0317

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

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

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(34-dimethoxybenzoyl)piperazine

SMILES

COc(ccc(C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)c1)c1OC

InChI

InChI=1S/C21H24N2O5/c1-25-17-6-4-16(12-19(17)26-2)21(24)23-9-7-22(8-10-23)13-15-3-5-18-20(11-15)28-14-27-18/h3-6,11-12H,7-10,13-14H2,1-2H3

InChI Key

SRMWEICMIYRXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212178

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.638

Water Solubility, LogSw

-2.25

Polar Surface Area

52.803

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4092-0317 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Structure:
  • Pool
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4092-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0317?
Check Price and Availability of 4092-0317, 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 4092-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0317
  • 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 4092-0317 available by request