0242-1181 Screening compound: 2-(3,4,5-trimethoxyphenyl)acetic acid

0242-1181 Screening compound: 2-(3,4,5-trimethoxyphenyl)acetic acid
0242-1181 Screening compound: 2-(3,4,5-trimethoxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-1181
2-(3,4,5-trimethoxyphenyl)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

0242-1181

Molecular Formula

C11H14O5 (C11 H14 O5)

Compound Name

2-(3,4,5-trimethoxyphenyl)acetic acid

IUPAC name

2-(345-trimethoxyphenyl)acetic acid

SMILES

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

InChI

InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

InChI Key

DDSJXCGGOXKGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00004336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.066

Distribution Coefficient, logD

-2.019

Water Solubility, LogSw

-1.70

Polar Surface Area

51.600

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0242-1181 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0242-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-1181?
Check Price and Availability of 0242-1181, 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 0242-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-1181
  • 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 0242-1181 available by request