S661-1270 Screening compound: 2'-ethyl-1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione
Chemical Structure Depiction of ChemDiv screening compound S661-1270
2'-ethyl-1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-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
S661-1270
Molecular Formula
C20H25N5O2S (C20 H25 N5 O2 S)
Compound Name
2'-ethyl-1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione
IUPAC name
2'-ethyl-1-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-hexahydrospiro[piperidine-46'-pyrrolo[12-c]imidazole]-1'3'-dione
SMILES
CCN(C(C(C1)N2CC11CCN(Cc3c[nH]nc3-c3cccs3)CC1)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.068
Distribution Coefficient, logD
-0.666
Water Solubility, LogSw
-2.59
Polar Surface Area
61.922
Acid Dissociation Constant (pKa)
13.12
Base Dissociation Constant (pKb)
10.13
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
55.00
S661-1270 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein Kinases Inhibitors Library (36801 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)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Kinases
References: we are preparing a list of scientific research reports with S661-1270 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)