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(5R) -BW-4030W92

CAT: 0931-T13428-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13428-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189013-61-4
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9827
Bioactivity
(5R) -BW-4030W92, the active enantiomer of BW-4030W92, is an orally available, non-selective, voltage-dependent, and use-dependent sodium channel antagonist used in the study of neurological disorders.
Smiles
FCC1=NC(=NC(N)=C1C=2C=CC=C(Cl)C2Cl)N
Molecular Formula
C11H9Cl2FN4
Molecular Weight
287.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BW-4030W92, (-)-
CAS Number189013-61-4
PubChem CID9860692
IUPAC Name5-(2,3-dichlorophenyl)-6-(fluoromethyl)pyrimidine-2,4-diamine
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.12
XLogP2.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity284
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=C2N)N)CF
InChI
InChI=1S/C11H9Cl2FN4/c12-6-3-1-2-5(9(6)13)8-7(4-14)17-11(16)18-10(8)15/h1-3H,4H2,(H4,15,16,17,18)
InChIKey
GKBLWFDYSYTVEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BW-4030W92, (-)-
CAS: 189013-61-4
CID: 9860692
Formula: C11H9Cl2FN4
MW: 287.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.12
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass286.0188299
Monoisotopic Mass286.0188299
Topological Polar Surface Area77.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity284
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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