S640-0205 Screening compound: 1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S640-0205
1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
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
S640-0205
Molecular Formula
C17H18N6O4 (C17 H18 N6 O4)
Compound Name
1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
IUPAC name
(3S4S)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-4-(3-methyl-124-oxadiazol-5-yl)pyrrolidine-3-carboxamide
SMILES
Cc1noc([C@@H](CN(C2)C(c3ccc(Cn4cncc4)o3)=O)[C@H]2C(N)=O)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.37
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
-0.323
Distribution Coefficient, logD
-0.346
Water Solubility, LogSw
-1.56
Polar Surface Area
102.861
Acid Dissociation Constant (pKa)
14.64
Base Dissociation Constant (pKb)
6.12
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
35.29
S640-0205 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S640-0205 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)