8010-5083 Screening compound: N-[(1E)-2-chloro-1-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 8010-5083
N-[(1E)-2-chloro-1-(morpholin-4-yl)ethylidene]-4-methylbenzene-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
8010-5083
Molecular Formula
C13H17ClN2O3S (C13 H17 ClN2 O3 S)
Compound Name
N-[(1E)-2-chloro-1-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide
IUPAC name
N-[(1E)-2-chloro-1-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide
SMILES
Cc(cc1)ccc1S(/N=C(\CCl)/N1CCOCC1)(=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
316.81
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.894
Distribution Coefficient, logD
1.894
Water Solubility, LogSw
-2.33
Polar Surface Area
50.919
Acid Dissociation Constant (pKa)
21.21
Base Dissociation Constant (pKb)
1.51
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.20
8010-5083 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 8010-5083 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)