R092-0031 Screening compound: 3,4,5-trimethoxybenzoic acid

R092-0031 Screening compound: 3,4,5-trimethoxybenzoic acid
R092-0031 Screening compound: 3,4,5-trimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R092-0031
3,4,5-trimethoxybenzoic 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

R092-0031

Molecular Formula

C10H12O5 (C10 H12 O5)

Compound Name

3,4,5-trimethoxybenzoic acid

IUPAC name

345-trimethoxybenzoic acid

SMILES

COc1cc(C(O)=O)cc(OC)c1OC

InChI

InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

InChI Key

SJSOFNCYXJUNBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

-0.024

Water Solubility, LogSw

-1.52

Polar Surface Area

51.624

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

R092-0031 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Pool
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with R092-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R092-0031?
Check Price and Availability of R092-0031, 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 R092-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R092-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R092-0031
  • 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 R092-0031 available by request