Y502-9148 Screening compound: 9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of ChemDiv screening compound Y502-9148
9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
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
Y502-9148
Molecular Formula
C20H17N7O2S (C20 H17 N7 O2 S)
Compound Name
9-ethyl-8-methyl-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
IUPAC name
12-ethyl-11-methyl-4-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-10-thia-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene
SMILES
CCc1c(C)sc2c1c1nc(-c3ccc(Cn4ncc([N+]([O-])=O)c4)cc3)nn1cn2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
419.47
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.007
Distribution Coefficient, logD
4.007
Water Solubility, LogSw
-4.23
Polar Surface Area
79.006
Acid Dissociation Constant (pKa)
25.66
Base Dissociation Constant (pKb)
4.43
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
References: we are preparing a list of scientific research reports with Y502-9148 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)