4340-2870 Screening compound: 4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Chemical Structure Depiction of ChemDiv screening compound 4340-2870
4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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
4340-2870
Molecular Formula
C20H13F2N3O3S (C20 H13 F2 N3 O3 S)
Compound Name
4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
IUPAC name
4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methyl-134-thiadiazol-2-yl)-25-dihydro-1H-pyrrol-2-one
SMILES
Cc1nnc(N(C(C(C(c(cc2)ccc2F)=O)=C2O)c(cc3)ccc3F)C2=O)s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
413.4
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.899
Distribution Coefficient, logD
2.850
Water Solubility, LogSw
-3.11
Polar Surface Area
67.341
Acid Dissociation Constant (pKa)
8.33
Base Dissociation Constant (pKb)
-7.76
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.00
4340-2870 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with 4340-2870 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)