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RO3244794

CAT: 0013-GTR19210549-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210549-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO3244794 is a potent and selective antagonist of the prostacyclin (IP) receptor. This small molecule tool compound is utilized in research to investigate the role of IP receptor signaling in models of hepatic injury, both in vitro and in vivo.
CAS Number
361457-01-4
Product Name Alternative
IP, ProstaglandinReceptor, Prostaglandin Receptor, RO 3244794, RO3244794, RO-3244794, RO-3244794.
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.36% (May vary between batches)
Solubility
DMSO:4.54 mg/mL (10.06 mM)
Smiles
C (OC (N[C@H] (CC1=CC=C (F) C=C1) C (O) =O) =O) C2=CC=3C (O2) =CC=C (C3) C4=CC=C (F) C=C4
Molecular Formula
C25H19F2NO5
Molecular Weight
451.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RO-3244794
CAS Number361457-01-4
PubChem CID11518066
IUPAC Name(2R)-3-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid
Molecular FormulaC25H19F2NO5
Molecular Weight451.4
XLogP5.3
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity663
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C25H19F2NO5/c26-19-6-1-15(2-7-19)11-22(24(29)30)28-25(31)32-14-21-13-18-12-17(5-10-23(18)33-21)16-3-8-20(27)9-4-16/h1-10,12-13,22H,11,14H2,(H,28,31)(H,29,30)/t22-/m1/s1
InChIKey
IDONYPMIPXYFLY-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of RO-3244794
CAS: 361457-01-4
CID: 11518066
Formula: C25H19F2NO5
MW: 451.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass451.12312903
Monoisotopic Mass451.12312903
Topological Polar Surface Area88.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity663
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

Alternative Products

CatalogName
MBS5811909RO3244794

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