C880-0016 Screening compound: 5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-0016 Screening compound: 5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-0016 Screening compound: 5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0016
5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

C880-0016

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cn1c(C(N(CC(N2CCCC2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C17H18N4O2/c1-19-14-7-3-2-6-12(14)13-10-18-21(17(23)16(13)19)11-15(22)20-8-4-5-9-20/h2-3,6-7,10H,4-5,8-9,11H2,1H3

InChI Key

DFQRPUFJPXHSFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

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

1.128

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.25

Polar Surface Area

46.912

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C880-0016 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C880-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0016?
Check Price and Availability of C880-0016, 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 C880-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0016
  • 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 C880-0016 available by request