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CB-5339

CAT: 0931-T60193-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T60193-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1863952-15-1
Target
P97
Related Pathways
Ubiquitination
Purity
0.985
Bioactivity
P97-IN-1 is a potent inhibitor of p97 with an IC 50 <30 nM [1].
Smiles
CC=1N(C=2C(=C(C(N)=O)C=CC2)C1)C3=NC(NCC4=CC=CC=C4)=C5C(N3)=NCCC5
Molecular Formula
C24H24N6O
Molecular Weight
412.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CAS Number1863952-15-1
PubChem CID122685543
IUPAC Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
Molecular FormulaC24H24N6O
Molecular Weight412.5
XLogP4.1
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity625
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCN4)C(=N3)NCC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H24N6O/c1-15-13-19-17(21(25)31)9-5-11-20(19)30(15)24-28-22-18(10-6-12-26-22)23(29-24)27-14-16-7-3-2-4-8-16/h2-5,7-9,11,13H,6,10,12,14H2,1H3,(H2,25,31)(H2,26,27,28,29)
InChIKey
XDHFSLWWYBVSLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CAS: 1863952-15-1
CID: 122685543
Formula: C24H24N6O
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass412.20115941
Monoisotopic Mass412.20115941
Topological Polar Surface Area97.9 Ų
Heavy Atom Count31
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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