S588-0459 Screening compound: 4-(cyclopropylmethyl)-N~8~,N~8~-diethyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S588-0459
4-(cyclopropylmethyl)-N~8~,N~8~-diethyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
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
S588-0459
Molecular Formula
C16H27N3O3S (C16 H27 N3 O3 S)
Compound Name
4-(cyclopropylmethyl)-N~8~,N~8~-diethyl-1,3-dioxo-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
IUPAC name
4-(cyclopropylmethyl)-NN-diethyl-13-dioxo-1lambda4-thia-48-diazaspiro[4.5]decane-8-carboxamide
SMILES
CCN(CC)C(N(CC1)CCC1(N(CC1CC1)C(C1)=O)S1=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
341.47
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.371
Distribution Coefficient, logD
1.371
Water Solubility, LogSw
-1.63
Polar Surface Area
49.922
Acid Dissociation Constant (pKa)
15.35
Base Dissociation Constant (pKb)
3.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
87.50
S588-0459 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with S588-0459 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)