S431-0550 Screening compound: N-benzyl-9-(3-methoxybenzoyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
Chemical Structure Depiction of ChemDiv screening compound S431-0550
N-benzyl-9-(3-methoxybenzoyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
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
S431-0550
Molecular Formula
C25H32N2O3 (C25 H32 N2 O3)
Compound Name
N-benzyl-9-(3-methoxybenzoyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
IUPAC name
N-benzyl-9-(3-methoxybenzoyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILES
CN(Cc1ccccc1)C1CC(CC2)(CCN2C(c2cc(OC)ccc2)=O)OCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.54
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.057
Distribution Coefficient, logD
2.332
Water Solubility, LogSw
-3.32
Polar Surface Area
33.628
Acid Dissociation Constant (pKa)
27.44
Base Dissociation Constant (pKb)
8.03
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
48.00
S431-0550 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 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)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- GPCR
- GPCR
- Ion Channels
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S431-0550 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S431-0550, 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)