C066-4162 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl]acetate

C066-4162 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl]acetate
C066-4162 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4162
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl]acetate

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

C066-4162

Molecular Formula

C18H19N3O5 (C18 H19 N3 O5)

Compound Name

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl]acetate

IUPAC name

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl]acetate

SMILES

CCOC(Cn1c(C(N(CC(OCC)=O)N=C2)=O)c2c2c1cccc2)=O

InChI

InChI=1S/C18H19N3O5/c1-3-25-15(22)10-20-14-8-6-5-7-12(14)13-9-19-21(18(24)17(13)20)11-16(23)26-4-2/h5-9H,3-4,10-11H2,1-2H3

InChI Key

QQTVLSHFTSNTFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.41

Polar Surface Area

69.932

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-4162 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-4162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4162?
Check Price and Availability of C066-4162, 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 C066-4162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4162
  • 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 C066-4162 available by request