4861-0084 Screening compound: 1-(4-acetyl-1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one

4861-0084 Screening compound: 1-(4-acetyl-1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
4861-0084 Screening compound: 1-(4-acetyl-1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4861-0084
1-(4-acetyl-1-benzyl-2,5-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

4861-0084

Molecular Formula

C17H19NO2 (C17 H19 NO2)

Compound Name

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

IUPAC name

1-(4-acetyl-1-benzyl-25-dimethyl-1H-pyrrol-3-yl)ethan-1-one

SMILES

CC(c1c(C)n(Cc2ccccc2)c(C)c1C(C)=O)=O

InChI

InChI=1S/C17H19NO2/c1-11-16(13(3)19)17(14(4)20)12(2)18(11)10-15-8-6-5-7-9-15/h5-9H,10H2,1-4H3

InChI Key

JUSSHHHTPQFACP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00980121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-2.66

Polar Surface Area

29.589

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

4861-0084 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4861-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4861-0084?
Check Price and Availability of 4861-0084, 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 4861-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4861-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4861-0084
  • 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 4861-0084 available by request