Y501-9450 Screening compound: 5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide
Chemical Structure Depiction of ChemDiv screening compound Y501-9450
5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide
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
Y501-9450
Molecular Formula
C11H12F2N4 (C11 H12 F2 N4)
Compound Name
5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide
IUPAC name
5-cyclopropyl-7-(difluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonitrile
SMILES
N#Cc1c(NC(CC2C(F)F)C3CC3)n2nc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
238.24
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.265
Distribution Coefficient, logD
1.265
Water Solubility, LogSw
-1.94
Polar Surface Area
43.093
Acid Dissociation Constant (pKa)
18.92
Base Dissociation Constant (pKb)
0.44
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
63.64
References: we are preparing a list of scientific research reports with Y501-9450 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)