Y503-3530 Screening compound: 5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
Chemical Structure Depiction of ChemDiv screening compound Y503-3530
5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
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
Y503-3530
Molecular Formula
C19H19F2N7S (C19 H19 F2 N7 S)
Compound Name
5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
IUPAC name
5-[1-(difluoromethyl)-1H-pyrazol-5-yl]-4-{35-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-124-triazole-3-thiol
SMILES
Cc(n(Cc1ccc(C)cc1)nc1C)c1-n1c(S)nnc1-c1ccnn1C(F)F
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.47
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.140
Distribution Coefficient, logD
0.026
Water Solubility, LogSw
-2.01
Polar Surface Area
49.888
Acid Dissociation Constant (pKa)
5.29
Base Dissociation Constant (pKb)
3.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.32
Y503-3530 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Carbonic Anhydrase II Library (4939 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with Y503-3530 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)