D047-0020 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine

D047-0020 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine
D047-0020 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0020
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)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

D047-0020

Molecular Formula

C12H16N2O4S (C12 H16 N2 O4 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)piperazine

SMILES

O=S(c(cc1)cc2c1OCCO2)(N1CCNCC1)=O

InChI

InChI=1S/C12H16N2O4S/c15-19(16,14-5-3-13-4-6-14)10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9,13H,3-8H2

InChI Key

DHDNZVYHASSKPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03119769

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.087

Distribution Coefficient, logD

-0.421

Water Solubility, LogSw

-2.36

Polar Surface Area

59.733

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D047-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 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
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Others
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D047-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0020?
Check Price and Availability of D047-0020, 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 D047-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0020
  • 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 D047-0020 available by request