C761-0447 Screening compound: 4-[(diethylamino)sulfonyl]-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound C761-0447
4-[(diethylamino)sulfonyl]-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)benzamide
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
C761-0447
Molecular Formula
C22H26N2O5S2 (C22 H26 N2 O5 S2)
Compound Name
4-[(diethylamino)sulfonyl]-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methylphenyl)benzamide
IUPAC name
4-(diethylsulfamoyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methylphenyl)benzamide
SMILES
CCN(CC)S(c(cc1)ccc1C(N(C(C1)C=CS1(=O)=O)c1ccc(C)cc1)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.59
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.535
Distribution Coefficient, logD
2.535
Water Solubility, LogSw
-2.68
Polar Surface Area
74.476
Acid Dissociation Constant (pKa)
21.31
Base Dissociation Constant (pKb)
-3.96
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.80
C761-0447 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with C761-0447 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)