8014-1951 Screening compound: 3-[5-(4-fluorophenyl)-2-furyl]propanoic acid

8014-1951 Screening compound: 3-[5-(4-fluorophenyl)-2-furyl]propanoic acid
8014-1951 Screening compound: 3-[5-(4-fluorophenyl)-2-furyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1951
3-[5-(4-fluorophenyl)-2-furyl]propanoic 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

8014-1951

Molecular Formula

C13H11FO3 (C13 H11 FO3)

Compound Name

3-[5-(4-fluorophenyl)-2-furyl]propanoic acid

IUPAC name

3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid

SMILES

OC(CCc1ccc(-c(cc2)ccc2F)o1)=O

InChI

InChI=1S/C13H11FO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)

InChI Key

PEMSGNPALUHKCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03119605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.23

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

2.847

Distribution Coefficient, logD

0.033

Water Solubility, LogSw

-3.22

Polar Surface Area

36.192

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8014-1951 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-1951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1951?
Check Price and Availability of 8014-1951, 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 8014-1951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1951
  • 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 8014-1951 available by request