R062-0005 Screening compound: 3-chloro-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

R062-0005 Screening compound: 3-chloro-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine
R062-0005 Screening compound: 3-chloro-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound R062-0005
3-chloro-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

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

R062-0005

Molecular Formula

C11H8ClN3O (C11 H8 ClN3 O)

Compound Name

3-chloro-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine

IUPAC name

6-chloro-9-methyl-2-oxa-459-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3571113-hexaene

SMILES

CN1c2cc(Cl)nnc2Oc2c1cccc2

InChI

InChI=1S/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3

InChI Key

MLCQNZQXVSPVEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.53

Polar Surface Area

31.016

Acid Dissociation Constant (pKa)

28.36

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

R062-0005 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R062-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R062-0005?
Check Price and Availability of R062-0005, 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 R062-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R062-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R062-0005
  • 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 R062-0005 available by request