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Walrycin B

CAT: 0931-T1832-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T1832-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
878419-78-4
Target
SARS-CoV, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Purity
0.9916
Bioactivity
Walrycin B is a new-type antibacterial compound targeting the WalR response regulator.
Smiles
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F
Molecular Formula
C14H10F3N5O2
Molecular Weight
337.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

walrycin B
CAS Number878419-78-4
PubChem CID3164070
IUPAC Name1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26
XLogP1.9
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity674
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
InChI
InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
InChIKey
XRVMPTWWKLKLPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of walrycin B
CAS: 878419-78-4
CID: 3164070
Formula: C14H10F3N5O2
MW: 337.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.26
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass337.07865906
Monoisotopic Mass337.07865906
Topological Polar Surface Area77.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity674
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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Alternative Products

CatalogName
B3291-50Walrycin B
GTR19160917-01Walrycin-B
SC3332-25mgWalrycin B (antibacterial)
HY-18219R-01Walrycin B (Standard)
A11819-10Walrycin B 10mg
A11819-2Walrycin B 2mg
A11819-200Walrycin B 200mg
A11819-50Walrycin B 50mg
A11819-25Walrycin B 25mg

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