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L006235

CAT: 0498-bs-6669C-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6669C-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
294623-49-7
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN1CCN(CC1)C1=NC(=CS1)C1C=CC(=CC=1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Molecular Formula
C24 H30 N6 O2 S
Molecular Weight
466.6
InChI
InChI=1S/C24H30N6O2S/c1-29-13-15-30 (16-14-29) 23-27-20 (17-33-23) 18-5-7-19 (8-6-18) 21 (31) 28-24 (9-3-2-4-10-24) 22 (32) 26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3, (H,26,32) (H,28,31)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

L 006235
CAS Number294623-49-7
PubChem CID9912381
IUPAC NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
Molecular FormulaC24H30N6O2S
Molecular Weight466.6
XLogP2.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity732
SMILES
CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N
InChI
InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
InChIKey
FIVYCSWOCXEWSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L 006235
CAS: 294623-49-7
CID: 9912381
Formula: C24H30N6O2S
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass466.21509539
Monoisotopic Mass466.21509539
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity732
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

Alternative Products

CatalogName
510222L006235

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