S395-0148 Screening compound: 3-[(4-chlorophenyl)methyl]-8-(pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound S395-0148
3-[(4-chlorophenyl)methyl]-8-(pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-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
S395-0148
Molecular Formula
C19H18ClN5O3 (C19 H18 ClN5 O3)
Compound Name
3-[(4-chlorophenyl)methyl]-8-(pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC name
3-[(4-chlorophenyl)methyl]-8-(pyrazine-2-carbonyl)-138-triazaspiro[4.5]decane-24-dione
SMILES
O=C(c1nccnc1)N(CC1)CCC1(C(N1Cc(cc2)ccc2Cl)=O)NC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.84
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.284
Distribution Coefficient, logD
1.284
Water Solubility, LogSw
-2.55
Polar Surface Area
76.859
Acid Dissociation Constant (pKa)
12.01
Base Dissociation Constant (pKb)
-0.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
S395-0148 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
Bromodomain Modulators Library (5801 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Eye
- Cancer
- Endocrine
- Antiviral
- Infections
- Immune system
- Ion Channels
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
- Agro
References: we are preparing a list of scientific research reports with S395-0148 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)