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(+) -JNJ-A07

CAT: 0013-GTR19185168-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185168-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(+) -JNJ-A07
CAS Number
2135640-93-4
Product Name Alternative
VirusProtease, Virus Protease, Dengue Fever virus
Field of Research
Infectious Disease & Virology
Purity
99.80% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.7 mM) ; DMSO:80 mg/mL (138.18 mM)
Smiles
C (C (NC1=CC (OCCCC (O) =O) =CC (OC) =C1) C2=CC=C (Cl) C=C2) (=O) N3C=4C (CC3) =CC=C (OC (F) (F) F) C4
Molecular Formula
C28H26ClF3N2O6
Molecular Weight
578.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 131964318
CAS Number2135640-93-4
PubChem CID131964318
IUPAC Name4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid
Molecular FormulaC28H26ClF3N2O6
Molecular Weight579.0
XLogP6.3
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity843
SMILES
COC1=CC(=CC(=C1)NC(C2=CC=C(C=C2)Cl)C(=O)N3CCC4=C3C=C(C=C4)OC(F)(F)F)OCCCC(=O)O
InChI
InChI=1S/C28H26ClF3N2O6/c1-38-22-13-20(14-23(15-22)39-12-2-3-25(35)36)33-26(18-4-7-19(29)8-5-18)27(37)34-11-10-17-6-9-21(16-24(17)34)40-28(30,31)32/h4-9,13-16,26,33H,2-3,10-12H2,1H3,(H,35,36)
InChIKey
WUBVXTOLZKVNEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 131964318
CAS: 2135640-93-4
CID: 131964318
Formula: C28H26ClF3N2O6
MW: 579.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.0
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass578.1431487
Monoisotopic Mass578.1431487
Topological Polar Surface Area97.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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