Products for Research Use Only

Nef ligand-1

CAT: 0931-TYD-02897-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-02897-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2416170-64-2
Target
HIV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
Nef ligand-1 is the Nef Binder component of FC-14367.
Smiles
FC1=CC=C(C=C1)CCC2=C(O)N(N=C2C3CCNCC3)C4=NC=5C=C(Cl)C=CC5N4
Molecular Formula
C23H23ClFN5O
Molecular Weight
439.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
CAS Number2416170-64-2
PubChem CID146569148
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
Molecular FormulaC23H23ClFN5O
Molecular Weight439.9
XLogP4.4
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
C1CNCCC1C2=C(C(=O)N(N2)C3=NC4=C(N3)C=C(C=C4)Cl)CCC5=CC=C(C=C5)F
InChI
InChI=1S/C23H23ClFN5O/c24-16-4-8-19-20(13-16)28-23(27-19)30-22(31)18(7-3-14-1-5-17(25)6-2-14)21(29-30)15-9-11-26-12-10-15/h1-2,4-6,8,13,15,26,29H,3,7,9-12H2,(H,27,28)
InChIKey
FZEHACPVIQWPHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
CAS: 2416170-64-2
CID: 146569148
Formula: C23H23ClFN5O
MW: 439.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight439.9
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass439.1575162
Monoisotopic Mass439.1575162
Topological Polar Surface Area73.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
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