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MpsBAY2a

CAT: 0931-T28090-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T28090-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1382477-96-4
Target
Others, Kinesin, Apoptosis
Related Pathways
Cytoskeletal Signaling, Others, Apoptosis
Bioactivity
Carcinoma cell proliferation.
Smiles
CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Molecular Formula
C29H28N6O
Molecular Weight
476.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MpsBAY2a
CAS Number1382477-96-4
PubChem CID57381882
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-quinolin-5-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
Molecular FormulaC29H28N6O
Molecular Weight476.6
XLogP5.8
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity750
SMILES
CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5
InChI
InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
InChIKey
MDYKTGNHXNTATG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MpsBAY2a
CAS: 1382477-96-4
CID: 57381882
Formula: C29H28N6O
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass476.23245954
Monoisotopic Mass476.23245954
Topological Polar Surface Area84.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity750
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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CatalogName
561462MpsBAY2a

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