C880-0014 Screening compound: 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-0014 Screening compound: 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-0014 Screening compound: 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0014
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-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

C880-0014

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(CC1)CCN1C(CN(C1=O)N=Cc2c1n(C)c1c2cccc1)=O

InChI

InChI=1S/C19H22N4O2/c1-13-7-9-22(10-8-13)17(24)12-23-19(25)18-15(11-20-23)14-5-3-4-6-16(14)21(18)2/h3-6,11,13H,7-10,12H2,1-2H3

InChI Key

PIUBPKDEPKBIGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-2.33

Polar Surface Area

46.546

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C880-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C880-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0014?
Check Price and Availability of C880-0014, 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 C880-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0014
  • 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 C880-0014 available by request