SB75-0048 Screening compound: N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound SB75-0048
N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenyl)acetamide
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
SB75-0048
Molecular Formula
C21H25ClN4O4 (C21 H25 ClN4 O4)
Compound Name
N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenyl)acetamide
IUPAC name
N-[(3aR5R6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenyl)acetamide
SMILES
Cc1noc([C@@](C[C@@H](C2)NC(Cc(cc3)ccc3Cl)=O)(C3)[C@@H]2CN3C(COC)=O)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
432.91
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.416
Distribution Coefficient, logD
1.416
Water Solubility, LogSw
-2.58
Polar Surface Area
80.597
Acid Dissociation Constant (pKa)
14.07
Base Dissociation Constant (pKb)
6.47
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
52.38
SB75-0048 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 SB75-0048 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)