S338-0270 Screening compound: 4-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-N,N-dimethylaniline
Chemical Structure Depiction of ChemDiv screening compound S338-0270
4-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-N,N-dimethylaniline
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
S338-0270
Molecular Formula
C21H21FN4O2 (C21 H21 FN4 O2)
Compound Name
4-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-N,N-dimethylaniline
IUPAC name
4-[(2S)-2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-NN-dimethylaniline
SMILES
CN(C)c(cc1)ccc1C(N(CCC1)[C@@H]1c1nc(-c(cc2)ccc2F)no1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
380.42
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.121
Distribution Coefficient, logD
4.121
Water Solubility, LogSw
-4.15
Polar Surface Area
51.157
Acid Dissociation Constant (pKa)
25.80
Base Dissociation Constant (pKb)
8.18
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
28.60
S338-0270 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
KRAS-Targeted Library (16000 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Eye
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Nervous system
- Cardiovascular
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Ion Channels
- Proteases
- Ion Channels
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Cyclic compounds
References: we are preparing a list of scientific research reports with S338-0270 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)