SB66-0968 Screening compound: (5aR,8aR)-1-(3-fluorobenzyl)-7-(3-pyridylsulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of ChemDiv screening compound SB66-0968
(5aR,8aR)-1-(3-fluorobenzyl)-7-(3-pyridylsulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-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
SB66-0968
Molecular Formula
C20H22FN3O3S (C20 H22 FN3 O3 S)
Compound Name
(5aR,8aR)-1-(3-fluorobenzyl)-7-(3-pyridylsulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
IUPAC name
(5aR8aR)-1-[(3-fluorophenyl)methyl]-7-(pyridine-3-sulfonyl)-decahydropyrrolo[34-b]azepin-2-one
SMILES
O=C1N(Cc2cc(F)ccc2)[C@@H](CN(C2)S(c3cnccc3)(=O)=O)[C@@H]2CCC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
403.48
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.845
Distribution Coefficient, logD
1.845
Water Solubility, LogSw
-1.97
Polar Surface Area
57.765
Acid Dissociation Constant (pKa)
23.63
Base Dissociation Constant (pKb)
-2.95
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with SB66-0968 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)