0080-0069 Screening compound: 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one

0080-0069 Screening compound: 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
0080-0069 Screening compound: 1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0069
1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one

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

0080-0069

Molecular Formula

C10H15NO (C10 H15 NO)

Compound Name

1-(5-ethyl-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one

IUPAC name

1-(5-ethyl-24-dimethyl-1H-pyrrol-3-yl)ethan-1-one

SMILES

CCc1c(C)c(C(C)=O)c(C)[nH]1

InChI

InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)7(3)11-9/h11H,5H2,1-4H3

InChI Key

USXUHJDVFUTRSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

165.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-1.89

Polar Surface Area

25.542

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0080-0069 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0080-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0069?
Check Price and Availability of 0080-0069, 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 0080-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0069
  • 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 0080-0069 available by request