C761-0954 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)butanamide
Chemical Structure Depiction of ChemDiv screening compound C761-0954
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)butanamide
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
C761-0954
Molecular Formula
C15H19NO4S (C15 H19 NO4 S)
Compound Name
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)butanamide
IUPAC name
N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methoxyphenyl)butanamide
SMILES
CCCC(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
309.39
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.875
Distribution Coefficient, logD
1.875
Water Solubility, LogSw
-2.43
Polar Surface Area
50.667
Acid Dissociation Constant (pKa)
21.46
Base Dissociation Constant (pKb)
-3.33
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
C761-0954 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
Human Proteases Annotated Library (2868 compounds)
Selective Target Activity Profiling Library (14702 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 C761-0954 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)