P435-1636 Screening compound: 4-{2-[1-(3-methoxybenzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}morpholine
Chemical Structure Depiction of ChemDiv screening compound P435-1636
4-{2-[1-(3-methoxybenzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}morpholine
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
P435-1636
Molecular Formula
C21H27N3O6S (C21 H27 N3 O6 S)
Compound Name
4-{2-[1-(3-methoxybenzenesulfonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}morpholine
IUPAC name
4-{2-[1-(3-methoxybenzenesulfonyl)piperidin-4-yl]-5-methyl-13-oxazole-4-carbonyl}morpholine
SMILES
Cc1c(C(N2CCOCC2)=O)nc(C(CC2)CCN2S(c2cc(OC)ccc2)(=O)=O)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.53
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.950
Distribution Coefficient, logD
1.950
Water Solubility, LogSw
-2.62
Polar Surface Area
81.677
Acid Dissociation Constant (pKa)
26.32
Base Dissociation Constant (pKb)
-2.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.40
P435-1636 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with P435-1636 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)