4147-0023 Screening compound: 4-(acetyloxy)-3-methoxybenzoic acid

4147-0023 Screening compound: 4-(acetyloxy)-3-methoxybenzoic acid
4147-0023 Screening compound: 4-(acetyloxy)-3-methoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4147-0023
4-(acetyloxy)-3-methoxybenzoic 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

4147-0023

Molecular Formula

C10H10O5 (C10 H10 O5)

Compound Name

4-(acetyloxy)-3-methoxybenzoic acid

IUPAC name

4-(acetyloxy)-3-methoxybenzoic acid

SMILES

CC(Oc(ccc(C(O)=O)c1)c1OC)=O

InChI

InChI=1S/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)

InChI Key

WTPDKEAYVAXNRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

-0.497

Water Solubility, LogSw

-1.90

Polar Surface Area

57.115

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4147-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4147-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4147-0023?
Check Price and Availability of 4147-0023, 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 4147-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4147-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4147-0023
  • 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 4147-0023 available by request