C848-0348 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(2-methoxyethyl)-1,3-thiazol-5-amine
Chemical Structure Depiction of ChemDiv screening compound C848-0348
4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(2-methoxyethyl)-1,3-thiazol-5-amine
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
C848-0348
Molecular Formula
C14H17ClN2O5S3 (C14 H17 ClN2 O5 S3)
Compound Name
4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(2-methoxyethyl)-1,3-thiazol-5-amine
IUPAC name
4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-N-(2-methoxyethyl)-13-thiazol-5-amine
SMILES
CCS(c1nc(S(c(cc2)ccc2Cl)(=O)=O)c(NCCOC)s1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.95
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.781
Distribution Coefficient, logD
2.781
Water Solubility, LogSw
-3.56
Polar Surface Area
86.567
Acid Dissociation Constant (pKa)
16.25
Base Dissociation Constant (pKb)
-7.45
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.70
C848-0348 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)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 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 C848-0348 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)