1668-0103 Screening compound: 1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole

1668-0103 Screening compound: 1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole
1668-0103 Screening compound: 1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1668-0103
1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole

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

1668-0103

Molecular Formula

C13H13NO (C13 H13 NO)

Compound Name

1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole

IUPAC name

1-ethenyl-2-(4-methoxyphenyl)-1H-pyrrole

SMILES

COc(cc1)ccc1-c1cccn1C=C

InChI

InChI=1S/C13H13NO/c1-3-14-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h3-10H,1H2,2H3

InChI Key

JKAGMSJUDZQKEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01099321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.07

Polar Surface Area

7.562

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1668-0103 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1668-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1668-0103?
Check Price and Availability of 1668-0103, 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 1668-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1668-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1668-0103
  • 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 1668-0103 available by request