D087-0015 Screening compound: N~3~-cyclohexyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound D087-0015
N~3~-cyclohexyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
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
D087-0015
Molecular Formula
C10H19NO4S2 (C10 H19 NO4 S2)
Compound Name
N~3~-cyclohexyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
IUPAC name
N-cyclohexyl-11-dioxo-1lambda6-thiolane-3-sulfonamide
SMILES
O=S(C(CC1)CS1(=O)=O)(NC1CCCCC1)=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
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.906
Distribution Coefficient, logD
0.906
Water Solubility, LogSw
-0.86
Polar Surface Area
70.565
Acid Dissociation Constant (pKa)
12.00
Base Dissociation Constant (pKb)
-7.68
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
100.00
D087-0015 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Purinergic Library (3321 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Nervous system
- Nervous system
- Cardiovascular
- Metabolic
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- GPCR
- Ion Channels
- Nuclear receptors
- Kinases
- Receptor's ligands
- Receptor's ligands
References: we are preparing a list of scientific research reports with D087-0015 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)