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BMS-180492

CAT: 0013-GTR19195370-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195370-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-180492 is a bioactive small molecule compound utilized in biochemical research. It serves as a valuable tool for in vitro and in vivo studies investigating cellular signaling pathways and related disease models.
CAS Number
153707-88-1
Smiles
O=C1NN (C (=O) N1CCOC=2C=CC=CC2) CCCN3CCN (C=4C=CC=C (Cl) C4) CC3
Molecular Formula
C23H28ClN5O3
Molecular Weight
457.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triazoledione
CAS Number153707-88-1
PubChem CID9804174
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione
Molecular FormulaC23H28ClN5O3
Molecular Weight458.0
XLogP3.6
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity625
SMILES
C1CN(CCN1CCCN2C(=O)N(C(=O)N2)CCOC3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H28ClN5O3/c24-19-6-4-7-20(18-19)27-14-12-26(13-15-27)10-5-11-29-23(31)28(22(30)25-29)16-17-32-21-8-2-1-3-9-21/h1-4,6-9,18H,5,10-17H2,(H,25,30)
InChIKey
BTNXVMLCKOPOEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triazoledione
CAS: 153707-88-1
CID: 9804174
Formula: C23H28ClN5O3
MW: 458.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.0
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass457.1880675
Monoisotopic Mass457.1880675
Topological Polar Surface Area68.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity625
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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