S509-1801 Screening compound: N-(2-ethylphenyl)-9-(2-methoxyethyl)-10-oxo-3,9-diazaspiro[5.6]dodecane-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S509-1801
N-(2-ethylphenyl)-9-(2-methoxyethyl)-10-oxo-3,9-diazaspiro[5.6]dodecane-3-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
S509-1801
Molecular Formula
C22H33N3O3 (C22 H33 N3 O3)
Compound Name
N-(2-ethylphenyl)-9-(2-methoxyethyl)-10-oxo-3,9-diazaspiro[5.6]dodecane-3-carboxamide
IUPAC name
N-(2-ethylphenyl)-9-(2-methoxyethyl)-10-oxo-39-diazaspiro[5.6]dodecane-3-carboxamide
SMILES
CCc(cccc1)c1NC(N(CC1)CCC1(CC1)CCN(CCOC)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.52
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.331
Distribution Coefficient, logD
2.331
Water Solubility, LogSw
-2.78
Polar Surface Area
50.558
Acid Dissociation Constant (pKa)
14.23
Base Dissociation Constant (pKb)
-2.22
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
63.64
S509-1801 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CNS MPO Library (28609 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)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S509-1801 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S509-1801, 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)