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ML251

CAT: 0013-GTR19217009-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19217009-01Size:1 g
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Description
ML251 is a potent novel nanomolar inhibitor of T. brucei and T. cruzi phosphofructokinase. ML251 inhibits T. brucei PFK (IC50=0.37 μM) and T. cruzi PFK (IC50=0.13 μM) . ML251 can be used for the research of parasite. (In Vitro) :ML251 produces modest dose-dependent toxicity.
CAS Number
1486482-16-9
Product Name Alternative
ML251?
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (586.48 mM)
Smiles
O=C (Cc (cc1) cc (Cl) c1Cl) Nc (cc1) ccc1S (Nc1nocc1) (=O) =O
Molecular Formula
C17H13Cl2N3O4S
Molecular Weight
426.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(3,4-Dichlorophenyl)-N-(4-(N-(isoxazol-3-yl)sulfamoyl)phenyl)acetamide
CAS Number1486482-16-9
PubChem CID53255421
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
Molecular FormulaC17H13Cl2N3O4S
Molecular Weight426.3
XLogP3.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity608
SMILES
C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=NOC=C3
InChI
InChI=1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKey
AIDVIFPYWYKRCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorophenyl)-N-(4-(N-(isoxazol-3-yl)sulfamoyl)phenyl)acetamide
CAS: 1486482-16-9
CID: 53255421
Formula: C17H13Cl2N3O4S
MW: 426.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.3
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass425.0003825
Monoisotopic Mass425.0003825
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity608
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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Alternative Products

CatalogName
BA2115-5.1ML251
A22707-1ML251 1mg
A22707-100ML251 100mg
A22707-25ML251 25mg
A22707-500ML251 500mg
A22707-10ML251 10mg
A22707-50ML251 50mg
A22707-5ML251 5mg
A22707-10mM-DML251 10mM * 1mL in DMSO

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