8018-5719 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

8018-5719 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
8018-5719 Screening compound: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5719
1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic 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

8018-5719

Molecular Formula

C14H14FNO2 (C14 H14 FNO2)

Compound Name

1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1cc(C(O)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C14H14FNO2/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,17,18)

InChI Key

GSDMGAGFDOQHKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.98

Polar Surface Area

30.568

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-5719 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-5719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5719?
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What is the minimum amount of 8018-5719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5719
  • 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 8018-5719 available by request