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RO-0335

CAT: 0013-GTR19154863-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154863-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO-0335 is a potent diphenylether nonnucleoside reverse transcriptase inhibitor. RO-0335 inhibits Wt HIV-1 (IC50 = 1.1 nM) and retained activity (IC50< 100 nM) against 92% of a large number of NNRTI-resistant clinical isolates.
CAS Number
867365-76-2
Purity
>98% (HPLC)
Solubility
DMSO:200mg/ml (348.91mM; need ultrasonic)
Smiles
NS (c (cc1) cc (Cl) c1NC (Cc (ccc (Br) c1Oc2cc (Cl) cc (C#N) c2) c1F) =O) (=O) =O
Molecular Formula
C21H13BrCl2FN3O4S
Molecular Weight
573.22
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide

Depulfavirine is under investigation in clinical trial NCT05204394 (Study to Evaluate Efficacy and Safety of Switching to VM-1500A-LAI + 2nrtis From the 1st Line Standard of Care Therapy).

CAS Number867365-76-2
PubChem CID11599486
IUPAC Name2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Molecular FormulaC21H13BrCl2FN3O4S
Molecular Weight573.2
XLogP4.6
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity854
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)Cl)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F
InChI
InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)
InChIKey
SBUUICLVCQQMFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CAS: 867365-76-2
CID: 11599486
Formula: C21H13BrCl2FN3O4S
MW: 573.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.2
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass570.91712
Monoisotopic Mass570.91712
Topological Polar Surface Area131 Ų
Heavy Atom Count33
Formal Charge0
Complexity854
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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