S329-4208 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
Chemical Structure Depiction of ChemDiv screening compound S329-4208
N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
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
S329-4208
Molecular Formula
C20H28N2O6S (C20 H28 N2 O6 S)
Compound Name
N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
IUPAC name
N-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILES
CC(N(C(CC1)CCN1S(c(cc1)cc2c1OCCO2)(=O)=O)C1CCOCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.52
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.027
Distribution Coefficient, logD
1.027
Water Solubility, LogSw
-2.43
Polar Surface Area
70.765
Acid Dissociation Constant (pKa)
25.79
Base Dissociation Constant (pKb)
5.67
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
65.00
S329-4208 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Bromodomain Modulators Library (5801 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- GPCR
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S329-4208 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)