S649-1278 Screening compound: 3-furyl[4-(3-methoxy-7-oxa-1-azaspiro[3.5]non-1-yl)piperidino]methanone
Chemical Structure Depiction of ChemDiv screening compound S649-1278
3-furyl[4-(3-methoxy-7-oxa-1-azaspiro[3.5]non-1-yl)piperidino]methanone
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
S649-1278
Molecular Formula
C18H26N2O4 (C18 H26 N2 O4)
Compound Name
3-furyl[4-(3-methoxy-7-oxa-1-azaspiro[3.5]non-1-yl)piperidino]methanone
IUPAC name
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonane
SMILES
COC(C1)C2(CCOCC2)N1C(CC1)CCN1C(c1cocc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
334.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.335
Distribution Coefficient, logD
-1.914
Water Solubility, LogSw
-1.70
Polar Surface Area
42.182
Acid Dissociation Constant (pKa)
27.49
Base Dissociation Constant (pKb)
10.65
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
72.22
S649-1278 in Drug Discovery
Included in Screening Libraries
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)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S649-1278 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)