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A1899

CAT: 0931-T24993-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T24993-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
498577-46-1
Target
Potassium Channel, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
A1899 is a effective and selective TASK-1 and TASK-3 antagonist.
Smiles
C(NC(CC1=CC=C(OC)C=C1)=O)C2=C(C=CC=C2)C3=C(C(NCC4=C(F)C=C(F)C=C4)=O)C=CC=C3
Molecular Formula
C30H26F2N2O3
Molecular Weight
500.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2,4-difluorobenzyl)-2'-((2-(4-methoxyphenyl)acetamido)methyl)-[1,1'-biphenyl]-2-carboxamide
CAS Number498577-46-1
PubChem CID9827303
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
Molecular FormulaC30H26F2N2O3
Molecular Weight500.5
XLogP5.2
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity730
SMILES
COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C30H26F2N2O3/c1-37-24-14-10-20(11-15-24)16-29(35)33-18-21-6-2-3-7-25(21)26-8-4-5-9-27(26)30(36)34-19-22-12-13-23(31)17-28(22)32/h2-15,17H,16,18-19H2,1H3,(H,33,35)(H,34,36)
InChIKey
IXKPEYHRIVQTCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-difluorobenzyl)-2'-((2-(4-methoxyphenyl)acetamido)methyl)-[1,1'-biphenyl]-2-carboxamide
CAS: 498577-46-1
CID: 9827303
Formula: C30H26F2N2O3
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass500.19114902
Monoisotopic Mass500.19114902
Topological Polar Surface Area67.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity730
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
563499A1899
TBI4656-5MGA1899, Potent and selective K2P3.1 blocker

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