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RSV604

CAT: 0931-T7353-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7353-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
676128-63-5
Target
RSV
Related Pathways
Microbiology/Virology
Purity
0.9949
Bioactivity
RSV604 ((S) -1- (2-Fluorophenyl) -3- (2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl) urea) is an inhibitor of respiratory syncytial virus (RSV) that binds to RSV nucleoprotein (Kd = 1.31 μM)
Smiles
Fc1ccccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O
Molecular Formula
C22H17FN4O2
Molecular Weight
388.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

RSV-604 is under investigation in clinical trial NCT00416442 (Safety, Tolerability and Pharmacokinetic Study of Single and Multiple Intravenous Doses of RSV604 in Healthy Subjects.).

CAS Number676128-63-5
PubChem CID5279172
IUPAC Name1-(2-fluorophenyl)-3-[(3S)-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=N[C@@H](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)/t20-/m1/s1
InChIKey
MTPVBMVUENFFLL-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CAS: 676128-63-5
CID: 5279172
Formula: C22H17FN4O2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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