7832-0060 Screening compound: 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of ChemDiv screening compound 7832-0060
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-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
7832-0060
Molecular Formula
C15H16FN5S (C15 H16 FN5 S)
Compound Name
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
IUPAC name
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-124-triazole-3-thiol
SMILES
CC(C)(C)c1n[nH]c(-c(n2-c(cccc3)c3F)nnc2S)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.39
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.371
Distribution Coefficient, logD
2.020
Water Solubility, LogSw
-3.63
Polar Surface Area
45.918
Acid Dissociation Constant (pKa)
6.07
Base Dissociation Constant (pKb)
1.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.70
7832-0060 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Human Kinases Annotated Library (2415 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Anti-HIV1 Library (19540 compounds)
Carbonic Anhydrase II Library (4939 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Agro
- Agro
- Epigenetic
References: we are preparing a list of scientific research reports with 7832-0060 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)