S217-0257 Screening compound: 5-methyl-1'-[(5-methyl-2-thienyl)carbonyl]-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
Chemical Structure Depiction of ChemDiv screening compound S217-0257
5-methyl-1'-[(5-methyl-2-thienyl)carbonyl]-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
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
S217-0257
Molecular Formula
C22H24N4OS (C22 H24 N4 OS)
Compound Name
5-methyl-1'-[(5-methyl-2-thienyl)carbonyl]-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
IUPAC name
8'-methyl-1-(5-methylthiophene-2-carbonyl)-2'5'8'-triazaspiro[piperidine-47'-tricyclo[8.4.0.0^{26}]tetradecane]-1'(10')3'5'11'13'-pentaene
SMILES
Cc1ccc(C(N(CC2)CCC22N(C)Cc(cccc3)c3-n3c2ncc3)=O)s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.52
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.583
Distribution Coefficient, logD
3.379
Water Solubility, LogSw
-3.70
Polar Surface Area
32.451
Acid Dissociation Constant (pKa)
26.67
Base Dissociation Constant (pKb)
7.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.40
S217-0257 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Bromodomain Modulators Library (5801 compounds)
CNS BBB Library (22607 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
TLR-8 ligands Library (674 compounds)
Alpha-Helix Mimetics Library (25899 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
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Nervous system
- Female
- Skin
- Immune system
- Kinases
- Others
- PPI modulators
- PPI modulators
- PPI modulators
- Receptor's ligands
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S217-0257 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)