4113-0001 Screening compound: 3-(furan-2-yl)-3-phenylpropanoic acid

4113-0001 Screening compound: 3-(furan-2-yl)-3-phenylpropanoic acid
4113-0001 Screening compound: 3-(furan-2-yl)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4113-0001
3-(furan-2-yl)-3-phenylpropanoic 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

4113-0001

Molecular Formula

C13H12O3 (C13 H12 O3)

Compound Name

3-(furan-2-yl)-3-phenylpropanoic acid

IUPAC name

3-(furan-2-yl)-3-phenylpropanoic acid

SMILES

OC(CC(c1ccco1)c1ccccc1)=O

InChI

InChI=1S/C13H12O3/c14-13(15)9-11(12-7-4-8-16-12)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)/t11-/m1/s1

InChI Key

SURWKZCXLRGYFM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02932326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.088

Distribution Coefficient, logD

-0.668

Water Solubility, LogSw

-2.46

Polar Surface Area

36.929

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

4113-0001 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4113-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4113-0001?
Check Price and Availability of 4113-0001, 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 4113-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4113-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4113-0001
  • 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 4113-0001 available by request