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RSV604 (racemate)

CAT: 0804-HY-12993A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12993A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RSV604 (A-60444) racemate is a racemic mixture, shows less potency against strains of respiratory syncytial virus (RSV) than the S-isomer.
CAS Number
676128-62-4
Product Name Alternative
A-60444 (racemate)
UNSPSC
12352005
Target
RSV
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/RSV604-racemate.html
Concentration
10mM
Purity
98.60
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1C(NC(NC2=CC=CC=C2F)=O)N=C(C3=CC=CC=C3)C4=CC=CC=C4N1
Molecular Formula
C22H17FN4O2
Molecular Weight
388.39
References & Citations
[1]1,4-benzodiazepines as inhibitors of respiratory syncytial virus. The identification of a clinical candidate.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

RSV604 racemate
CAS Number676128-62-4
PubChem CID5279171
IUPAC Name1-(2-fluorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Molecular FormulaC22H17FN4O2
Molecular Weight388.4
XLogP3.3
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity634
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)
InChIKey
MTPVBMVUENFFLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RSV604 racemate
CAS: 676128-62-4
CID: 5279171
Formula: C22H17FN4O2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass388.13355396
Monoisotopic Mass388.13355396
Topological Polar Surface Area82.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity634
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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CatalogName
BCB12862-01RSV604 racemate
A21817-100RSV604 racemate 100mg
A21817-50RSV604 racemate 50mg
A21817-25RSV604 racemate 25mg
A21817-10RSV604 racemate 10mg
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