4250-0063 Screening compound: 4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Chemical Structure Depiction of ChemDiv screening compound 4250-0063
4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
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
4250-0063
Molecular Formula
C9H9N3S (C9 H9 N3 S)
Compound Name
4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
IUPAC name
4-methyl-3-phenyl-45-dihydro-1H-124-triazole-5-thione
SMILES
CN(C(c1ccccc1)=NN1)C1=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
191.26
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.070
Distribution Coefficient, logD
1.332
Water Solubility, LogSw
-2.03
Polar Surface Area
27.622
Acid Dissociation Constant (pKa)
12.44
Base Dissociation Constant (pKb)
6.02
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.10
4250-0063 in Drug Discovery
Included in Screening Libraries
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- Phosphatases
References: we are preparing a list of scientific research reports with 4250-0063 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)