D087-0595 Screening compound: 3-[(2-methylpiperidino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Chemical Structure Depiction of ChemDiv screening compound D087-0595
3-[(2-methylpiperidino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
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
D087-0595
Molecular Formula
C10H19NO4S2 (C10 H19 NO4 S2)
Compound Name
3-[(2-methylpiperidino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
IUPAC name
3-[(2-methylpiperidin-1-yl)sulfonyl]-1lambda6-thiolane-11-dione
SMILES
CC(CCCC1)N1S(C(CC1)CS1(=O)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
281.4
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.269
Distribution Coefficient, logD
0.269
Water Solubility, LogSw
-0.58
Polar Surface Area
60.640
Acid Dissociation Constant (pKa)
20.05
Base Dissociation Constant (pKb)
-6.84
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
100.00
D087-0595 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Fragments Library (11262 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Agro
- Fragments
- Nuclear receptors
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with D087-0595 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)