8016-1855 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione

8016-1855 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione
8016-1855 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1855
1-(1-methyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione

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

8016-1855

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

1-(1-methyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione

IUPAC name

1-(1-methyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-12-dione

SMILES

Cn1c(cccc2)c2c(C(C(N2CCCCC2)=O)=O)c1

InChI

InChI=1S/C16H18N2O2/c1-17-11-13(12-7-3-4-8-14(12)17)15(19)16(20)18-9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3

InChI Key

NIMMCDCPQWGMHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-2.62

Polar Surface Area

33.185

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8016-1855 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1855?
Check Price and Availability of 8016-1855, 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 8016-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1855
  • 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 8016-1855 available by request