C880-0126 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-propylacetamide

C880-0126 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-propylacetamide
C880-0126 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0126
2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-propylacetamide

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

C880-0126

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-propylacetamide

IUPAC name

2-{5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-propylacetamide

SMILES

CCCNC(CN(C1=O)N=Cc2c1n(C)c1c2cccc1)=O

InChI

InChI=1S/C16H18N4O2/c1-3-8-17-14(21)10-20-16(22)15-12(9-18-20)11-6-4-5-7-13(11)19(15)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,21)

InChI Key

XTLLIEYAUJDSKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.042

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.43

Polar Surface Area

54.738

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C880-0126 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C880-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0126?
Check Price and Availability of C880-0126, 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 C880-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0126
  • 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 C880-0126 available by request