Y500-6236 Screening compound: 1-ethyl-N-(5-methyl-3-isoxazolyl)-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound Y500-6236
1-ethyl-N-(5-methyl-3-isoxazolyl)-4-nitro-1H-pyrazole-5-carboxamide
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
Y500-6236
Molecular Formula
C10H11N5O4 (C10 H11 N5 O4)
Compound Name
1-ethyl-N-(5-methyl-3-isoxazolyl)-4-nitro-1H-pyrazole-5-carboxamide
IUPAC name
1-ethyl-N-(5-methyl-12-oxazol-3-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILES
CCn1ncc([N+]([O-])=O)c1C(Nc1noc(C)c1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
265.23
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.447
Distribution Coefficient, logD
-1.284
Water Solubility, LogSw
-2.42
Polar Surface Area
91.160
Acid Dissociation Constant (pKa)
4.67
Base Dissociation Constant (pKb)
-2.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
Y500-6236 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y500-6236 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)