S664-4807 Screening compound: 2-(4-chlorophenoxy)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound S664-4807
2-(4-chlorophenoxy)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
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
S664-4807
Molecular Formula
C16H20ClNO3 (C16 H20 ClNO3)
Compound Name
2-(4-chlorophenoxy)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
IUPAC name
2-(4-chlorophenoxy)-1-{1-hydroxy-7-azaspiro[3.5]nonan-7-yl}ethan-1-one
SMILES
OC(CC1)C1(CC1)CCN1C(COc(cc1)ccc1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
309.79
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.540
Distribution Coefficient, logD
1.540
Water Solubility, LogSw
-2.20
Polar Surface Area
39.726
Acid Dissociation Constant (pKa)
17.78
Base Dissociation Constant (pKb)
5.19
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.25
S664-4807 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 compounds)
NOTUM (Wnt signaling) Library (3881 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Cyclic compounds
- Nervous system
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S664-4807 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)