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GDC-0276

CAT: 0931-T11377-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11377-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1494581-70-2
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9977
Bioactivity
GDC-0276 is an orally active, selective, and potent NaV1.7 inhibitor that can be used for the study of pain-related diseases.
Smiles
O=C(NS(=O)(=O)N1CCC1)C=2C=C(C(OCC34CC5CC(CC(C5)C3)C4)=CC2F)C6CC6
Molecular Formula
C24H31FN2O4S
Molecular Weight
462.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gdc-0276

NaV1.7 Inhibitor

CAS Number1494581-70-2
PubChem CID91809347
IUPAC Name4-(1-adamantylmethoxy)-N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluorobenzamide
Molecular FormulaC24H31FN2O4S
Molecular Weight462.6
XLogP4.7
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity809
SMILES
C1CN(C1)S(=O)(=O)NC(=O)C2=C(C=C(C(=C2)C3CC3)OCC45CC6CC(C4)CC(C6)C5)F
InChI
InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)
InChIKey
PTCBNPULJWGSML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0276
CAS: 1494581-70-2
CID: 91809347
Formula: C24H31FN2O4S
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass462.19885681
Monoisotopic Mass462.19885681
Topological Polar Surface Area84.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity809
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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