C066-4161 Screening compound: methyl 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetate

C066-4161 Screening compound: methyl 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetate
C066-4161 Screening compound: methyl 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4161
methyl 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-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

C066-4161

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-16-11-6-4-3-5-9(11)10-7-15-17(8-12(18)20-2)14(19)13(10)16/h3-7H,8H2,1-2H3

InChI Key

LOHKRWUVLASKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.866

Distribution Coefficient, logD

0.866

Water Solubility, LogSw

-1.91

Polar Surface Area

51.004

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C066-4161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4161?
Check Price and Availability of C066-4161, 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 C066-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4161
  • 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 C066-4161 available by request