S395-1020 Screening compound: 3-[(4-fluorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound S395-1020
3-[(4-fluorophenyl)methyl]-8-(1H-indole-4-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
S395-1020
Molecular Formula
C23H21FN4O3 (C23 H21 FN4 O3)
Compound Name
3-[(4-fluorophenyl)methyl]-8-(1H-indole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC name
3-[(4-fluorophenyl)methyl]-8-(1H-indole-4-carbonyl)-138-triazaspiro[4.5]decane-24-dione
SMILES
O=C(c1c(cc[nH]2)c2ccc1)N(CC1)CCC1(C(N1Cc(cc2)ccc2F)=O)NC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
420.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.413
Distribution Coefficient, logD
2.413
Water Solubility, LogSw
-3.10
Polar Surface Area
68.075
Acid Dissociation Constant (pKa)
12.01
Base Dissociation Constant (pKb)
0.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.10
S395-1020 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Bromodomain Modulators Library (5801 compounds)
Indole Derivatives (10091 compounds)
KRAS-Targeted Library (16000 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)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Endocrine
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Cyclic compounds
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
- Kinases
- Others
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S395-1020 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)