T140-0972 Screening compound: 4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of ChemDiv screening compound T140-0972
4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
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
T140-0972
Molecular Formula
C13H16N2O3S (C13 H16 N2 O3 S)
Compound Name
4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
IUPAC name
4-phenyl-1lambda6-thia-48-diazaspiro[4.5]decane-113-trione
SMILES
O=C(CS(C12CCNCC2)(=O)=O)N1c1ccccc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
280.35
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
-0.520
Distribution Coefficient, logD
-0.520
Water Solubility, LogSw
-1.96
Polar Surface Area
56.571
Acid Dissociation Constant (pKa)
6.40
Base Dissociation Constant (pKb)
7.92
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.15
T140-0972 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)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cyclic compounds
- Nervous system
- Nervous system
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Nervous system
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- Nuclear receptors
- Ion Channels
References: we are preparing a list of scientific research reports with T140-0972 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)