Products for Research Use Only
RegisterLogin

ML198

CAT: 0013-GTR19166952-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19166952-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML198
CAS Number
1380716-06-2
Product Name Alternative
ML198, ML-198, ML 198, Non-inhibitory chaperone, inhibit, glucocerebrosidase, Glucocerebrosidase, Glucosidase, GCase modulator, Gaucher disease, Inhibitor
Field of Research
Metabolism Research
Purity
95.32% (May vary between batches)
Solubility
H2O:Insoluble; DMSO:2.91 mg/mL (10.02 mM)
Smiles
Cc1cc (C) n2ncc (C (=O) Nc3ccc (cc3) C#C) c2n1
Molecular Formula
C17H14N4O
Molecular Weight
290.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number1380716-06-2
PubChem CID46907762
IUPAC NameN-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC17H14N4O
Molecular Weight290.32
XLogP2.2
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity463
SMILES
CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C
InChI
InChI=1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
InChIKey
HVZPJBKUFRREQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS: 1380716-06-2
CID: 46907762
Formula: C17H14N4O
MW: 290.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass290.11676108
Monoisotopic Mass290.11676108
Topological Polar Surface Area59.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity463
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

Related Products

CatalogName
GTR19167071-01ML188
GTR19193489-01ML192
GTR19186444-01ML138
GTR19240939-01ML188 enantiomer

Alternative Products

CatalogName
M23537-01ML198
A22122-25ML198 25mg
A22122-2ML198 2mg
A22122-100ML198 100mg
A22122-10ML198 10mg
A22122-200ML198 200mg
A22122-50ML198 50mg
A22122-5ML198 5mg

Popular Products