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VUN65671

CAT: 0498-bs-7017C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7017C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2479465-67-1
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC1CCN(CC1)C1C=CC(=CC=1C(F)(F)F)NC(=O)C1C=CC(CN2CCOCC2)=CC=1
Molecular Formula
C25 H30 F3 N3 O2
Molecular Weight
461.52
InChI
InChI=1S/C25H30F3N3O2/c1-18-8-10-31 (11-9-18) 23-7-6-21 (16-22 (23) 25 (26,27) 28) 29-24 (32) 20-4-2-19 (3-5-20) 17-30-12-14-33-15-13-30/h2-7,16,18H,8-15,17H2,1H3, (H,29,32)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Ebov/marv-IN-1
CAS Number2479465-67-1
PubChem CID154729054
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
Molecular FormulaC25H30F3N3O2
Molecular Weight461.5
XLogP4.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity625
SMILES
CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4)C(F)(F)F
InChI
InChI=1S/C25H30F3N3O2/c1-18-8-10-31(11-9-18)23-7-6-21(16-22(23)25(26,27)28)29-24(32)20-4-2-19(3-5-20)17-30-12-14-33-15-13-30/h2-7,16,18H,8-15,17H2,1H3,(H,29,32)
InChIKey
VVJSZYWIEBDKTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebov/marv-IN-1
CAS: 2479465-67-1
CID: 154729054
Formula: C25H30F3N3O2
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass461.22901169
Monoisotopic Mass461.22901169
Topological Polar Surface Area44.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity625
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

Alternative Products

CatalogName
T9761-01VUN65671

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