4912-0862 Screening compound: 3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)(methyl)amino]carbothioyl}sulfanyl)-4-methyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophene
Chemical Structure Depiction of ChemDiv screening compound 4912-0862
3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)(methyl)amino]carbothioyl}sulfanyl)-4-methyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophene
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
4912-0862
Molecular Formula
C11H17NO4S4 (C11 H17 NO4 S4)
Compound Name
3-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)(methyl)amino]carbothioyl}sulfanyl)-4-methyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophene
IUPAC name
N-(11-dioxo-1lambda6-thiolan-3-yl)-N-methyl-1-[(4-methyl-11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)sulfanyl]methanethioamide
SMILES
CC(C(C1)SC(N(C)C(CC2)CS2(=O)=O)=S)=CS1(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
355.52
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.509
Distribution Coefficient, logD
0.509
Water Solubility, LogSw
-1.30
Polar Surface Area
58.679
Acid Dissociation Constant (pKa)
20.41
Base Dissociation Constant (pKb)
-1.82
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
72.70
4912-0862 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4912-0862 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)