8012-5829 Screening compound: 2-(3,4-diethoxyphenyl)acetic acid

8012-5829 Screening compound: 2-(3,4-diethoxyphenyl)acetic acid
8012-5829 Screening compound: 2-(3,4-diethoxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5829
2-(3,4-diethoxyphenyl)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

8012-5829

Molecular Formula

C12H16O4 (C12 H16 O4)

Compound Name

2-(3,4-diethoxyphenyl)acetic acid

IUPAC name

2-(34-diethoxyphenyl)acetic acid

SMILES

CCOc(ccc(CC(O)=O)c1)c1OCC

InChI

InChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)

InChI Key

FIKUHWAANCXBGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00040785

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

1.577

Distribution Coefficient, logD

-1.507

Water Solubility, LogSw

-1.81

Polar Surface Area

43.043

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8012-5829 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-5829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5829?
Check Price and Availability of 8012-5829, 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 8012-5829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5829
  • 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 8012-5829 available by request