S616-2196 Screening compound: 8-methanesulfonyl-3-(4-methylpyridine-3-carbonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of ChemDiv screening compound S616-2196
8-methanesulfonyl-3-(4-methylpyridine-3-carbonyl)-3,8-diazabicyclo[4.2.0]octane
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
S616-2196
Molecular Formula
C14H19N3O3S (C14 H19 N3 O3 S)
Compound Name
8-methanesulfonyl-3-(4-methylpyridine-3-carbonyl)-3,8-diazabicyclo[4.2.0]octane
IUPAC name
(1S6R)-8-methanesulfonyl-3-(4-methylpyridine-3-carbonyl)-38-diazabicyclo[4.2.0]octane
SMILES
Cc(ccnc1)c1C(N(CC[C@H]1C2)C[C@@H]1N2S(C)(=O)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
309.39
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.307
Distribution Coefficient, logD
0.307
Water Solubility, LogSw
-1.68
Polar Surface Area
57.872
Acid Dissociation Constant (pKa)
24.48
Base Dissociation Constant (pKb)
4.54
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
57.14
S616-2196 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with S616-2196 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S616-2196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)