8011-6942 Screening compound: 4-[(3,6-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde

8011-6942 Screening compound: 4-[(3,6-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde
8011-6942 Screening compound: 4-[(3,6-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6942
4-[(3,6-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde

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

8011-6942

Molecular Formula

C12H8Cl2N2O3 (C12 H8 Cl2 N2 O3)

Compound Name

4-[(3,6-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde

IUPAC name

4-[(36-dichloropyridazin-4-yl)oxy]-3-methoxybenzaldehyde

SMILES

COc(cc(C=O)cc1)c1Oc1cc(Cl)nnc1Cl

InChI

InChI=1S/C12H8Cl2N2O3/c1-18-9-4-7(6-17)2-3-8(9)19-10-5-11(13)15-16-12(10)14/h2-6H,1H3

InChI Key

ISZODPGFMVQOBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.298

Water Solubility, LogSw

-3.13

Polar Surface Area

51.196

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8011-6942 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-6942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6942?
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What is the minimum amount of 8011-6942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6942
  • 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 8011-6942 available by request