R049-0022 Screening compound: 2-(3,4-dimethoxyphenyl)acetic acid

R049-0022 Screening compound: 2-(3,4-dimethoxyphenyl)acetic acid
R049-0022 Screening compound: 2-(3,4-dimethoxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R049-0022
2-(3,4-dimethoxyphenyl)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

R049-0022

Molecular Formula

C10H12O4 (C10 H12 O4)

Compound Name

2-(3,4-dimethoxyphenyl)acetic acid

IUPAC name

2-(34-dimethoxyphenyl)acetic acid

SMILES

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

InChI

InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)

InChI Key

WUAXWQRULBZETB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00004335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.086

Distribution Coefficient, logD

-1.998

Water Solubility, LogSw

-1.82

Polar Surface Area

43.883

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

R049-0022 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R049-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R049-0022?
Check Price and Availability of R049-0022, 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 R049-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R049-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R049-0022
  • 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 R049-0022 available by request