6060-0107 Screening compound: 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid

6060-0107 Screening compound: 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
6060-0107 Screening compound: 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6060-0107
3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]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

6060-0107

Molecular Formula

C17H18FNO4 (C17 H18 FNO4)

Compound Name

3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[1-(2-ethoxy-2-oxoethyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid

SMILES

CCOC(Cn1c(-c(cc2)ccc2F)ccc1CCC(O)=O)=O

InChI

InChI=1S/C17H18FNO4/c1-2-23-17(22)11-19-14(8-10-16(20)21)7-9-15(19)12-3-5-13(18)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,20,21)

InChI Key

KSLIIEYWCJPWRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

0.293

Water Solubility, LogSw

-3.21

Polar Surface Area

49.466

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6060-0107 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6060-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6060-0107?
Check Price and Availability of 6060-0107, 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 6060-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6060-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6060-0107
  • 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 6060-0107 available by request