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ML141

CAT: 0957-S7686-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S7686-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71203-35-5
Synonyms
CID-2950007
Target
Rho
Applications
Cell Cycle
Smiles
COC1=CC=C (C=C1) C2CC (=NN2C3=CC=C (C=C3) S (=O) (=O) N) C4=CC=CC=C4
Molecular Formula
C22H21N3O3S
Additionnal Information
ML141 (CID-2950007) is demonstrated to be a potent, selective and reversible non-competitive inhibitor of Cdc42 GTPase suitable for in vitro assays, with IC50 of 200 nM and selectivity against other members of the Rho family of GTPases (Rac1, Rab2, Rab7) . ML141 is associated with an increase in p38 activation and may induce p38-dependent apoptosis/senescence. ML141 also protects neuroblastoma cells from metformin-induced apoptosis.
Storage Conditions
2 years -80 in solvent

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...
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