0074-0048 Screening compound: (2E)-3-(4-methoxyphenyl)prop-2-enoic acid

0074-0048 Screening compound: (2E)-3-(4-methoxyphenyl)prop-2-enoic acid
0074-0048 Screening compound: (2E)-3-(4-methoxyphenyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0048
(2E)-3-(4-methoxyphenyl)prop-2-enoic 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

0074-0048

Molecular Formula

C10H10O3 (C10 H10 O3)

Compound Name

(2E)-3-(4-methoxyphenyl)prop-2-enoic acid

IUPAC name

(2E)-3-(4-methoxyphenyl)prop-2-enoic acid

SMILES

COc1ccc(/C=C/C(O)=O)cc1

InChI

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)

InChI Key

AFDXODALSZRGIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00004398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

-0.932

Water Solubility, LogSw

-2.38

Polar Surface Area

36.166

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0074-0048 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 0074-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0048?
Check Price and Availability of 0074-0048, 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 0074-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0048
  • 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 0074-0048 available by request