4861-0084 Screening compound: 1-(4-acetyl-1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
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 Key
MDL Number (MFCD)
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
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Agro
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)