K822-0409 Screening compound: 4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of ChemDiv screening compound K822-0409
4-phenyl-5-(pyridin-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
K822-0409
Molecular Formula
C13H10N4S (C13 H10 N4 S)
Compound Name
4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
IUPAC name
4-phenyl-5-(pyridin-3-yl)-4H-124-triazole-3-thiol
SMILES
Sc1nnc(-c2cnccc2)n1-c1ccccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
254.32
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.714
Distribution Coefficient, logD
0.235
Water Solubility, LogSw
-0.86
Polar Surface Area
32.976
Acid Dissociation Constant (pKa)
5.94
Base Dissociation Constant (pKb)
5.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
References: we are preparing a list of scientific research reports with K822-0409 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)