C612-0344 Screening compound: methyl 3,4-dichlorobenzoate

C612-0344 Screening compound: methyl 3,4-dichlorobenzoate
C612-0344 Screening compound: methyl 3,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0344
methyl 3,4-dichlorobenzoate

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

C612-0344

Molecular Formula

C8H6Cl2O2 (C8 H6 Cl2 O2)

Compound Name

methyl 3,4-dichlorobenzoate

IUPAC name

methyl 34-dichlorobenzoate

SMILES

COC(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3

InChI Key

WICGATIORFSOJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00018165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.04

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.74

Polar Surface Area

21.412

Acid Dissociation Constant (pKa)

33.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C612-0344 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Epigenetic
  • Receptor's ligands
Structure:
  • Pool
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with C612-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0344?
Check Price and Availability of C612-0344, 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 C612-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0344
  • 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 C612-0344 available by request