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Y-320

CAT: 0607-B3425-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B3425-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
immunomodulator
CAS Number
288250-47-5
Product Name Alternative
1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
Field of Research
Immunology Inflammation Interleukin Related
Purity
0.98
Form
A solid
Solubility
≥24.8 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
Smiles
CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N
Molecular Formula
C27H29ClN6O2
Molecular Weight
505.01
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1-(4-Chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CAS Number288250-47-5
PubChem CID22227931
IUPAC Name1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
Molecular FormulaC27H29ClN6O2
Molecular Weight505.0
XLogP3.8
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity784
SMILES
CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N
InChI
InChI=1S/C27H29ClN6O2/c1-19-25(18-30-34(19)24-5-2-21(28)3-6-24)27(35)31-22-4-7-26(20(16-22)17-29)33-10-8-23(9-11-33)32-12-14-36-15-13-32/h2-7,16,18,23H,8-15H2,1H3,(H,31,35)
InChIKey
BWZNJVZTAWBIFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophenyl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CAS: 288250-47-5
CID: 22227931
Formula: C27H29ClN6O2
MW: 505.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.0
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass504.2040519
Monoisotopic Mass504.2040519
Topological Polar Surface Area86.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity784
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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