3875-0452 Screening compound: 2-(3-methoxy-4-propoxyphenyl)acetic acid

3875-0452 Screening compound: 2-(3-methoxy-4-propoxyphenyl)acetic acid
3875-0452 Screening compound: 2-(3-methoxy-4-propoxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3875-0452
2-(3-methoxy-4-propoxyphenyl)acetic 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

3875-0452

Molecular Formula

C12H16O4 (C12 H16 O4)

Compound Name

2-(3-methoxy-4-propoxyphenyl)acetic acid

IUPAC name

2-(3-methoxy-4-propoxyphenyl)acetic acid

SMILES

CCCOc(ccc(CC(O)=O)c1)c1OC

InChI

InChI=1S/C12H16O4/c1-3-6-16-10-5-4-9(8-12(13)14)7-11(10)15-2/h4-5,7H,3,6,8H2,1-2H3,(H,13,14)

InChI Key

SGQLGSKBIIHNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

-0.976

Water Solubility, LogSw

-2.33

Polar Surface Area

43.757

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3875-0452 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 3875-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3875-0452?
Check Price and Availability of 3875-0452, 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 3875-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3875-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3875-0452
  • 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 3875-0452 available by request