SB76-0530 Screening compound: (3aR,7aR)-2-(4-isopropylbenzyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of ChemDiv screening compound SB76-0530
(3aR,7aR)-2-(4-isopropylbenzyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-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
SB76-0530
Molecular Formula
C17H24N2O (C17 H24 N2 O)
Compound Name
(3aR,7aR)-2-(4-isopropylbenzyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
IUPAC name
(3aR7aR)-2-{[4-(propan-2-yl)phenyl]methyl}-octahydro-1H-pyrrolo[34-c]pyridin-6-one
SMILES
CC(C)c1ccc(CN(C2)C[C@@H](CN3)[C@H]2CC3=O)cc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
272.39
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.211
Distribution Coefficient, logD
-2.903
Water Solubility, LogSw
-2.74
Polar Surface Area
29.079
Acid Dissociation Constant (pKa)
15.50
Base Dissociation Constant (pKb)
12.51
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
58.82
SB76-0530 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with SB76-0530 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)