SB55-1125 Screening compound: [(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone
Chemical Structure Depiction of ChemDiv screening compound SB55-1125
[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone
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
SB55-1125
Molecular Formula
C20H25N3O2 (C20 H25 N3 O2)
Compound Name
[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone
IUPAC name
3-[(3aS6aS)-2-(35-dimethylbenzoyl)-octahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-124-oxadiazole
SMILES
CCc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(c2cc(C)cc(C)c2)=O)no1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.897
Distribution Coefficient, logD
3.897
Water Solubility, LogSw
-3.74
Polar Surface Area
48.749
Acid Dissociation Constant (pKa)
25.45
Base Dissociation Constant (pKb)
-1.10
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
55.00
SB55-1125 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SB55-1125 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)