T140-0393 Screening compound: 8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of ChemDiv screening compound T140-0393
8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-4-methyl-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
T140-0393
Molecular Formula
C19H24N2O5S (C19 H24 N2 O5 S)
Compound Name
8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
IUPAC name
8-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-methyl-1lambda6-thia-48-diazaspiro[4.5]decane-113-trione
SMILES
CN(C(CC1)(CCN1C(C1(CC1)c(cc1)ccc1OC)=O)S(C1)(=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.48
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.567
Distribution Coefficient, logD
0.501
Water Solubility, LogSw
-1.98
Polar Surface Area
69.511
Acid Dissociation Constant (pKa)
8.19
Base Dissociation Constant (pKb)
-0.03
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
57.90
T140-0393 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Antiviral
- Infections
- Immune system
- GPCR
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with T140-0393 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)