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BML-280

CAT: 1106-BML-ST371-0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-ST371-0005Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158347-73-9
Product Name Alternative
N- (2- (4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl) -ethyl) quinoline-3-carboxamide, VU0285655-1
Certification
RUO
Target
PLD
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended. Store solutions at -20°C for up to 3 months.
Purity
≥98% (TLC)
Solubility
Soluble in DMSO (>25mg/ml) or 100% ethanol (>25mg/ml) .
Molecular Formula
C 25 H 27 N 5 O 2
Molecular Weight
429.5
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Appearance
Off-white solid.

Chemical Information

N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CAS Number1158347-73-9
PubChem CID44138050
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoline-3-carboxamide
Molecular FormulaC25H27N5O2
Molecular Weight429.5
XLogP2.9
Topological Polar Surface Area77.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity671
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5N=C4
InChI
InChI=1S/C25H27N5O2/c31-23(20-16-19-6-4-5-9-22(19)27-17-20)26-12-15-29-13-10-25(11-14-29)24(32)28-18-30(25)21-7-2-1-3-8-21/h1-9,16-17H,10-15,18H2,(H,26,31)(H,28,32)
InChIKey
WJOCDBUFEUKYNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CAS: 1158347-73-9
CID: 44138050
Formula: C25H27N5O2
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass429.21647512
Monoisotopic Mass429.21647512
Topological Polar Surface Area77.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity671
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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