0631-0326 Screening compound: 3-(4-methoxyphenyl)propanoate

0631-0326 Screening compound: 3-(4-methoxyphenyl)propanoate
0631-0326 Screening compound: 3-(4-methoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0631-0326
3-(4-methoxyphenyl)propanoate

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

0631-0326

Molecular Formula

C10H11O3 (C10 H11 O3)

Compound Name

3-(4-methoxyphenyl)propanoate

IUPAC name

3-(4-methoxyphenyl)propanoate

SMILES

COc1ccc(CCC([O-])=O)cc1

InChI

InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)/p-1

InChI Key

FIUFLISGGHNPSM-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00990183

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

179.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-1.78

Polar Surface Area

36.166

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0631-0326 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0631-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0631-0326?
Check Price and Availability of 0631-0326, 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 0631-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0631-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0631-0326
  • 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 0631-0326 available by request