8006-0546 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid

8006-0546 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid
8006-0546 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0546
2-(2-acetyl-4,5-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

8006-0546

Molecular Formula

C12H14O5 (C12 H14 O5)

Compound Name

2-(2-acetyl-4,5-dimethoxyphenyl)acetic acid

IUPAC name

2-(2-acetyl-45-dimethoxyphenyl)acetic acid

SMILES

CC(c(cc1OC)c(CC(O)=O)cc1OC)=O

InChI

InChI=1S/C12H14O5/c1-7(13)9-6-11(17-3)10(16-2)4-8(9)5-12(14)15/h4,6H,5H2,1-3H3,(H,14,15)

InChI Key

JRDKNLFTQJPDDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00230664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.173

Distribution Coefficient, logD

-2.008

Water Solubility, LogSw

-1.70

Polar Surface Area

57.710

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8006-0546 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8006-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0546?
Check Price and Availability of 8006-0546, 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 8006-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0546
  • 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 8006-0546 available by request