Products for Research Use Only

Kobe2601

CAT: 0013-GTR19200132-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200132-01Size:2 mg
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Description
Kobe2601 is a water-soluble derivative of Kobe0065 designed to inhibit the Ras-Raf protein-protein interaction. This cell-permeable inhibitor is a valuable chemical probe for studying Ras signaling pathways in both cellular and biochemical assays.
CAS Number
316151-68-5
Field of Research
Signal Transduction
Purity
99.24% (May vary between batches)
Smiles
O=[N+] (C1=CC=C (C ([N+] ([O-]) =O) =C1) NNC (NC2=CC=C (C=C2) F) =S) [O-]
Molecular Formula
C13H10FN5O4S
Molecular Weight
351.31
Storage Conditions
-20°C
Notes
For research use only.

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...
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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