S525-0419 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-1-one
Chemical Structure Depiction of ChemDiv screening compound S525-0419
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-1-one
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
S525-0419
Molecular Formula
C22H31N5O5 (C22 H31 N5 O5)
Compound Name
2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-1-one
IUPAC name
2-[2-(34-dimethoxyphenyl)ethyl]-3-[1-(2-methoxyethyl)-1H-1234-tetrazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILES
COCCn1nnnc1C(CC12CCOCC2)N(CCc(cc2)cc(OC)c2OC)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.52
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
0.966
Distribution Coefficient, logD
0.966
Water Solubility, LogSw
-1.83
Polar Surface Area
87.330
Acid Dissociation Constant (pKa)
15.85
Base Dissociation Constant (pKb)
-2.91
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
63.60
S525-0419 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Antiviral
- Infections
- Immune system
- Agro
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with S525-0419 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)