Products for Research Use Only

PF-184563

CAT: 0013-GTR19199799-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199799-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-184563 is a potent, selective, and orally bioavailable non-peptide V1a vasopressin receptor antagonist. It is a valuable research tool for investigating conditions like Raynaud's phenomenon and dysmenorrhea in both in vitro and in vivo experimental models.
CAS Number
748806-39-5
Product Name Alternative
PF 184563, PF184563, PF-184563
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.67% (May vary between batches)
Smiles
ClC1=CC=C2C (=C1) CN (C) CC3=NN=C (N32) C4CCN (C5=NC=CC=C5) CC4
Molecular Formula
C21H23ClN6
Molecular Weight
394.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-184563

a V1a receptor antagonist; structure in first source

CAS Number748806-39-5
PubChem CID11237434
IUPAC Name8-chloro-5-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular FormulaC21H23ClN6
Molecular Weight394.9
XLogP2.8
Topological Polar Surface Area50.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity527
SMILES
CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1
InChI
InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
InChIKey
LXHAZNJVVVBJIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-184563
CAS: 748806-39-5
CID: 11237434
Formula: C21H23ClN6
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight394.9
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass394.1672725
Monoisotopic Mass394.1672725
Topological Polar Surface Area50.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity527
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