Products for Research Use Only

CCT-271850

CAT: 0931-T23865-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T23865-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1578244-34-4
Target
Others, Kinesin
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
CCT-271850 is an inhibitor of the spindle checkpoint function of Monospindle 1.
Smiles
COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1
Molecular Formula
C24H29N7O
Molecular Weight
431.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CAS Number1578244-34-4
PubChem CID73386882
IUPAC Name8-N-[(2S)-3,3-dimethylbutan-2-yl]-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
Molecular FormulaC24H29N7O
Molecular Weight431.5
XLogP4.7
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity599
SMILES
C[C@@H](C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC
InChI
InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1
InChIKey
XTJZKALDRPVFSN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CAS: 1578244-34-4
CID: 73386882
Formula: C24H29N7O
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass431.24335857
Monoisotopic Mass431.24335857
Topological Polar Surface Area89.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity599
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