S997-0768 Screening compound: 5-(furan-2-carbonyl)-2-methanesulfonyl-7a-(methoxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of ChemDiv screening compound S997-0768
5-(furan-2-carbonyl)-2-methanesulfonyl-7a-(methoxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine
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
S997-0768
Molecular Formula
C15H22N2O5S (C15 H22 N2 O5 S)
Compound Name
5-(furan-2-carbonyl)-2-methanesulfonyl-7a-(methoxymethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine
IUPAC name
(3aR7aS)-5-(furan-2-carbonyl)-2-methanesulfonyl-7a-(methoxymethyl)-octahydro-1H-pyrrolo[34-c]pyridine
SMILES
COC[C@](CN(C1)S(C)(=O)=O)(CC2)[C@H]1CN2C(c1ccco1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
342.42
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.249
Distribution Coefficient, logD
0.249
Water Solubility, LogSw
-1.89
Polar Surface Area
65.259
Acid Dissociation Constant (pKa)
24.48
Base Dissociation Constant (pKb)
-0.87
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
66.67
References: we are preparing a list of scientific research reports with S997-0768 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)