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Synta66

CAT: 0931-T13047-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13047-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
835904-51-3
Target
Calcium Channel
Related Pathways
Membrane transporter/Ion channel, Metabolism
Purity
0.9984
Bioactivity
Synta66 is a store-operated calcium entry channel Orai inhibitor, and used for the research of neurological disease.
Smiles
COc1ccc(OC)c(c1)-c1ccc(NC(=O)c2ccncc2F)cc1
Molecular Formula
C20H17FN2O3
Molecular Weight
352.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Synta66

Synta66 is an inhibitor of store-operated calcium entry channel Orai, which forms the pore of the CRAC channel, and used for the research of neurological disease.

CAS Number835904-51-3
PubChem CID11337104
IUPAC NameN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
Molecular FormulaC20H17FN2O3
Molecular Weight352.4
XLogP3.4
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity456
SMILES
COC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3)F
InChI
InChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24)
InChIKey
GFEIWXNLDKUWIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Synta66
CAS: 835904-51-3
CID: 11337104
Formula: C20H17FN2O3
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass352.12232057
Monoisotopic Mass352.12232057
Topological Polar Surface Area60.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity456
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

Alternative Products

CatalogName
BA6641-50Synta66
A19314-50Synta66 50mg
A19314-10Synta66 10mg
A19314-2Synta66 2mg
A19314-200Synta66 200mg
A19314-25Synta66 25mg
A19314-100Synta66 100mg
A19314-5Synta66 5mg
A19314-10mM-DSynta66 10mM * 1mL in DMSO

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