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ML141

CAT: 0013-GTR19161684-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19161684-01Size:1 g
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Description
ML141 is a potent, selective and reversible non-competitive inhibitor of Rho family GTPase cdc42 with IC50 of 200 nM.
CAS Number
71203-35-5
Product Name Alternative
CID2950007
Purity
>98% (HPLC)
Solubility
DMSO: 81 mg/mL warmed (198.77 mM)
Smiles
O=S (C1=CC=C (N2N=C (C3=CC=CC=C3) CC2C4=CC=C (OC) C=C4) C=C1) (N) =O
Molecular Formula
C22H21N3O3S
Molecular Weight
407.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4-[4,5-dihydro-5- (4-methoxyphenyl) -3-phenyl-1H-pyrazol-1-yl]-benzenesulfonamide

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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Alternative Products

CatalogName
TRC-M425250-500MGML141
MBS130831-01ML141(CID-2950007)
SC6565-25mgML141 (Rho inhibitor)
bs-60134C-01ML141 --- Cdc42 GTPase Inhibitor
WCA20335-01Cdc42/Rac1 GTPase Inhibitor, ML141
217263Cdc42/Rac1 GTPase Inhibitor, ML141 (MLS00693334, CID2950007, (±) -4- (4,5-Dihydro-5- (4-methoxyphenyl) -3-phenyl-1H-pyrazol-1-yl) -benzenesulfonamide, (±) -4- (5- (4-Methoxyphenyl) -3-phenyl-4,5-dihydro-1H-pyrazol-1-yl) ) -benzenesulfonamide, CDC42 GTPase Inhibitor II, CDC42 Inhibitor II, Rac1 Inhibitor V, Rac1 GTPase Inhibitor II)

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