Y050-2012 Screening compound: 5-chloro-2-methoxy-N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound Y050-2012
5-chloro-2-methoxy-N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzene-1-sulfonamide
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
Y050-2012
Molecular Formula
C14H19ClN2O5S (C14 H19 ClN2 O5 S)
Compound Name
5-chloro-2-methoxy-N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzene-1-sulfonamide
IUPAC name
5-chloro-2-methoxy-N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzene-1-sulfonamide
SMILES
CN(CC(N1CCOCC1)=O)S(c(cc(cc1)Cl)c1OC)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.83
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.701
Distribution Coefficient, logD
0.701
Water Solubility, LogSw
-2.58
Polar Surface Area
64.734
Acid Dissociation Constant (pKa)
23.00
Base Dissociation Constant (pKb)
-2.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
Y050-2012 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
References: we are preparing a list of scientific research reports with Y050-2012 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)