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AZ194

CAT: 0931-T9461-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9461-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241651-99-8
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9986
Bioactivity
CRMP2-Ubc9-NaV1.7 inhibitor 194, is a CRMP2-Ubc9-NaV1.7 inhibitor.
Smiles
COc1cc(ccc1OCc1cccc(F)c1)C(=O)N1CCC(CC1)c1nc2ccccc2n1Cc1cccc(F)c1
Molecular Formula
C34H31F2N3O3
Molecular Weight
567.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-(1-(3-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-((3-fluorobenzyl)oxy)-3-methoxyphenyl)methanone
CAS Number2241651-99-8
PubChem CID135290226
IUPAC Name[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
Molecular FormulaC34H31F2N3O3
Molecular Weight567.6
XLogP6.4
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity873
SMILES
COC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F)OCC6=CC(=CC=C6)F
InChI
InChI=1S/C34H31F2N3O3/c1-41-32-20-26(12-13-31(32)42-22-24-7-5-9-28(36)19-24)34(40)38-16-14-25(15-17-38)33-37-29-10-2-3-11-30(29)39(33)21-23-6-4-8-27(35)18-23/h2-13,18-20,25H,14-17,21-22H2,1H3
InChIKey
HDKZBBHJFURFLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(1-(3-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-((3-fluorobenzyl)oxy)-3-methoxyphenyl)methanone
CAS: 2241651-99-8
CID: 135290226
Formula: C34H31F2N3O3
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass567.23334818
Monoisotopic Mass567.23334818
Topological Polar Surface Area56.6 Ų
Heavy Atom Count42
Formal Charge0
Complexity873
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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