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Kobe2601

CAT: 0931-T24267-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24267-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
316151-68-5
Target
Raf, Ras, Others
Related Pathways
Others, MAPK
Bioactivity
Kobe2601 is a Kobe0065 and Kobe02602 water-soluble analog. It displays inhibitory activity towards Ras-Raf binding.
Smiles
N(=O)(=O)C1=C(NNC(NC2=CC=C(F)C=C2)=S)C=CC(N(=O)=O)=C1
Molecular Formula
C13H10FN5O4S
Molecular Weight
351.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide
CAS Number316151-68-5
PubChem CID4369988
IUPAC Name1-(2,4-dinitroanilino)-3-(4-fluorophenyl)thiourea
Molecular FormulaC13H10FN5O4S
Molecular Weight351.32
XLogP3.7
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity478
SMILES
C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C13H10FN5O4S/c14-8-1-3-9(4-2-8)15-13(24)17-16-11-6-5-10(18(20)21)7-12(11)19(22)23/h1-7,16H,(H2,15,17,24)
InChIKey
XAWWYTYFOCONCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide
CAS: 316151-68-5
CID: 4369988
Formula: C13H10FN5O4S
MW: 351.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.32
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass351.04375315
Monoisotopic Mass351.04375315
Topological Polar Surface Area160 Ų
Heavy Atom Count24
Formal Charge0
Complexity478
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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