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ML 141

CAT: 0607-B9014-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B9014-10Size:10 mg
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Description
Cdc42 GTPase inhibitor
CAS Number
71203-35-5
Product Name Alternative
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
Field of Research
Cell Cycle Checkpoint Cdc42
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
COC1=CC=C(C2CC(C3=CC=CC=C3)=NN2C4=CC=C(S(N)(=O)=O)C=C4)C=C1
Molecular Formula
C22H21N3O3S
Molecular Weight
407.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide

4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is a sulfonamide.

CAS Number71203-35-5
PubChem CID2950007
IUPAC Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Molecular FormulaC22H21N3O3S
Molecular Weight407.5
XLogP3.6
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity668
SMILES
COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
InChI
InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
InChIKey
QBNZBMVRFYREHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CAS: 71203-35-5
CID: 2950007
Formula: C22H21N3O3S
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass407.13036271
Monoisotopic Mass407.13036271
Topological Polar Surface Area93.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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