C730-0206 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione

C730-0206 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione
C730-0206 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0206
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione

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

C730-0206

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-1,2-dione

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(1H-indol-3-yl)ethane-12-dione

SMILES

O=C(C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C22H21N3O4/c26-21(17-12-23-18-4-2-1-3-16(17)18)22(27)25-9-7-24(8-10-25)13-15-5-6-19-20(11-15)29-14-28-19/h1-6,11-12,23H,7-10,13-14H2

InChI Key

ZYKBWZONHHRVDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04472808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-3.26

Polar Surface Area

61.152

Acid Dissociation Constant (pKa)

15.32

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C730-0206 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C730-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0206?
Check Price and Availability of C730-0206, 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 C730-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0206
  • 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 C730-0206 available by request