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PD-161570

CAT: 0498-bs-6917C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6917C-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192705-80-9
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC(C)(C)NC(=O)NC1=NC2N=C(NCCCCN(CC)CC)N=CC=2C=C1C1C(Cl)=CC=CC=1Cl
Molecular Formula
C26 H35 Cl2 N7 O
Molecular Weight
532.51
InChI
InChI=1S/C26H35Cl2N7O/c1-6-35 (7-2) 14-9-8-13-29-24-30-16-17-15-18 (21-19 (27) 11-10-12-20 (21) 28) 23 (31-22 (17) 32-24) 33-25 (36) 34-26 (3,4) 5/h10-12,15-16H,6-9,13-14H2,1-5H3, (H3,29,30,31,32,33,34,36)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

PD 161570

structure in first source

CAS Number192705-80-9
PubChem CID5328135
IUPAC Name1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
Molecular FormulaC26H35Cl2N7O
Molecular Weight532.5
XLogP5.8
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity665
SMILES
CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C
InChI
InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
InChIKey
MKVMEJKNLUWFSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD 161570
CAS: 192705-80-9
CID: 5328135
Formula: C26H35Cl2N7O
MW: 532.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.5
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass531.2280142
Monoisotopic Mass531.2280142
Topological Polar Surface Area95.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity665
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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