4069-0022 Screening compound: 4-[(E)-[2-(3,5-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid

4069-0022 Screening compound: 4-[(E)-[2-(3,5-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid
4069-0022 Screening compound: 4-[(E)-[2-(3,5-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4069-0022
4-[(E)-[2-(3,5-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid

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

4069-0022

Molecular Formula

C13H9Cl2N3O2 (C13 H9 Cl2 N3 O2)

Compound Name

4-[(E)-[2-(3,5-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid

IUPAC name

4-[(E)-[2-(35-dichloropyridin-2-yl)hydrazin-1-ylidene]methyl]benzoic acid

SMILES

OC(c1ccc(/C=N/Nc(ncc(Cl)c2)c2Cl)cc1)=O

InChI

InChI=1S/C13H9Cl2N3O2/c14-10-5-11(15)12(16-7-10)18-17-6-8-1-3-9(4-2-8)13(19)20/h1-7H,(H,16,18)(H,19,20)

InChI Key

HKUYDSYFHQFQOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

0.069

Water Solubility, LogSw

-3.96

Polar Surface Area

59.561

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4069-0022 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4069-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4069-0022?
Check Price and Availability of 4069-0022, 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 4069-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4069-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4069-0022
  • 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 4069-0022 available by request