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CB 300919

CAT: 0607-A3285-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3285-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potential therapy for ovarian cancer
CAS Number
289715-28-2
Product Name Alternative
4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide
Sequence
CB-300919;CB300919
Field of Research
Others Nampt
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CN1CCN(CC1)CC2=NC3=CC(=C(C=C3C(=O)N2C)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)Cl
Molecular Formula
C32H34ClN7O2
Molecular Weight
584.11
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Benzamide, 4-(((7-chloro-3,4-dihydro-3-methyl-2-((4-methyl-1-piperazinyl)methyl)-4-oxo-6-quinazolinyl)methyl)-2-propyn-1-ylamino)-N-(3-pyridinylmethyl)-
CAS Number289715-28-2
PubChem CID9938280
IUPAC Name4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide
Molecular FormulaC32H34ClN7O2
Molecular Weight584.1
XLogP2.8
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CN1CCN(CC1)CC2=NC3=C(C=C(C(=C3)Cl)CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5)C(=O)N2C
InChI
InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
InChIKey
LWTCFUSGPRGUBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, 4-(((7-chloro-3,4-dihydro-3-methyl-2-((4-methyl-1-piperazinyl)methyl)-4-oxo-6-quinazolinyl)methyl)-2-propyn-1-ylamino)-N-(3-pyridinylmethyl)-
CAS: 289715-28-2
CID: 9938280
Formula: C32H34ClN7O2
MW: 584.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.1
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass583.2462510
Monoisotopic Mass583.2462510
Topological Polar Surface Area84.4 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
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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