Products for Research Use Only

DSP-2230

CAT: 0013-GTR19156336-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156336-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DSP-2230 is a selective blocker of Nav1.7/Nav1.8.
CAS Number
1233231-30-5
Purity
>98% (HPLC)
Solubility
DMSO:125 mg/mL (298.04 mM; Need ultrasonic)
Smiles
C[C@H] (C (N) =O) NCc (n1C2CCC2) nc (cc2) c1nc2Oc (cc1F) cc (F) c1F
Molecular Formula
C20H20F3N5O2
Molecular Weight
419.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2S)-2-(((3-Cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo(4,5-b)pyridin-2-yl)methyl)amino)propanamide
CAS Number1233231-30-5
PubChem CID129080919
IUPAC Name(2S)-2-[[3-cyclobutyl-5-(3,4,5-trifluorophenoxy)imidazo[4,5-b]pyridin-2-yl]methylamino]propanamide
Molecular FormulaC20H20F3N5O2
Molecular Weight419.4
XLogP2.4
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity601
SMILES
C[C@@H](C(=O)N)NCC1=NC2=C(N1C3CCC3)N=C(C=C2)OC4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C20H20F3N5O2/c1-10(19(24)29)25-9-16-26-15-5-6-17(27-20(15)28(16)11-3-2-4-11)30-12-7-13(21)18(23)14(22)8-12/h5-8,10-11,25H,2-4,9H2,1H3,(H2,24,29)/t10-/m0/s1
InChIKey
HHXCJIMPEJSJTG-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-(((3-Cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo(4,5-b)pyridin-2-yl)methyl)amino)propanamide
CAS: 1233231-30-5
CID: 129080919
Formula: C20H20F3N5O2
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass419.15690938
Monoisotopic Mass419.15690938
Topological Polar Surface Area95.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes