8019-4660 Screening compound: (3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
Chemical Structure Depiction of ChemDiv screening compound 8019-4660
(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
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
8019-4660
Molecular Formula
C8H13N (C8 H13 N)
Compound Name
(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
IUPAC name
(3aR7aS)-233a477a-hexahydro-1H-isoindole
SMILES
C1NC[C@@H]2[C@H]1CC=CC2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
123.2
Hydrogen Bond Acceptors Count
1.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
1
Partition Coefficient, logP
1.655
Distribution Coefficient, logD
-3.889
Water Solubility, LogSw
-1.27
Polar Surface Area
12.540
Acid Dissociation Constant (pKa)
25.46
Base Dissociation Constant (pKb)
12.94
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
75.00
References: we are preparing a list of scientific research reports with 8019-4660 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)