S730-0222 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-oxohexahydro-1H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S730-0222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-oxohexahydro-1H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1-carboxamide
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
S730-0222
Molecular Formula
C20H26N4O4 (C20 H26 N4 O4)
Compound Name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1'-oxohexahydro-1H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazine]-1-carboxamide
IUPAC name
N-(23-dihydro-14-benzodioxin-6-yl)-1'-oxo-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazine]-1-carboxamide
SMILES
O=C(Nc(cc1)cc2c1OCCO2)N1CCC(C2)(CN(CCN3)C2C3=O)CC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
386.45
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
-0.248
Distribution Coefficient, logD
-1.256
Water Solubility, LogSw
-2.02
Polar Surface Area
69.989
Acid Dissociation Constant (pKa)
12.72
Base Dissociation Constant (pKb)
8.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
60.00
S730-0222 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)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Antiviral
- Infections
- Immune system
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S730-0222 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S730-0222, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)