4964-2727 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one

4964-2727 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one
4964-2727 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-2727
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one

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

4964-2727

Molecular Formula

C17H24N2O3 (C17 H24 N2 O3)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C17H24N2O3/c1-13(2)9-17(20)19-7-5-18(6-8-19)11-14-3-4-15-16(10-14)22-12-21-15/h3-4,10,13H,5-9,11-12H2,1-2H3

InChI Key

GPDICJNIZMOBQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829932

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

304.39

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

2.250

Distribution Coefficient, logD

1.906

Water Solubility, LogSw

-2.79

Polar Surface Area

37.287

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

4964-2727 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

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

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4964-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-2727?
Check Price and Availability of 4964-2727, 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 4964-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-2727
  • 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 4964-2727 available by request