Y502-5577 Screening compound: 4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound Y502-5577
4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-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
Y502-5577
Molecular Formula
C20H20BrF3N6O3 (C20 H20 BrF3 N6 O3)
Compound Name
4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
IUPAC name
4-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-ethyl-N-[(furan-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILES
CCn1nc(C(NCc2ccco2)=O)c(NC(Cn2nc(C(F)(F)F)c(Br)c2C2CC2)=O)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
529.32
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.069
Distribution Coefficient, logD
2.962
Water Solubility, LogSw
-3.04
Polar Surface Area
83.657
Acid Dissociation Constant (pKa)
7.96
Base Dissociation Constant (pKb)
-2.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
Y502-5577 in Drug Discovery
Included in Screening Libraries
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 Y502-5577 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)