6049-0461 Screening compound: 4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of ChemDiv screening compound 6049-0461
4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol
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
6049-0461
Molecular Formula
C10H13N3S2 (C10 H13 N3 S2)
Compound Name
4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol
IUPAC name
4-ethyl-5-(5-ethylthiophen-3-yl)-4H-124-triazole-3-thiol
SMILES
CCc1cc(-c(n2CC)nnc2S)cs1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
239.37
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.774
Distribution Coefficient, logD
2.581
Water Solubility, LogSw
-2.74
Polar Surface Area
23.729
Acid Dissociation Constant (pKa)
7.65
Base Dissociation Constant (pKb)
4.26
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
6049-0461 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with 6049-0461 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)