8017-8316 Screening compound: 4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
Chemical Structure Depiction of ChemDiv screening compound 8017-8316
4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-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
8017-8316
Molecular Formula
C22H17F2N3O3 (C22 H17 F2 N3 O3)
Compound Name
4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
IUPAC name
4-(4-fluorobenzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-25-dihydro-1H-pyrrol-2-one
SMILES
OC(C(N(CCc1c[nH]cn1)C1c2cccc(F)c2)=O)=C1C(c(cc1)ccc1F)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
409.39
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.851
Distribution Coefficient, logD
2.846
Water Solubility, LogSw
-3.27
Polar Surface Area
66.599
Acid Dissociation Constant (pKa)
9.51
Base Dissociation Constant (pKb)
5.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
13.60
8017-8316 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with 8017-8316 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)