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K 858

CAT: 0607-B7480-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B7480-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
mitotic kinesin Eg5 inhibitor
CAS Number
72926-24-0
Product Name Alternative
(R)-N-(4-acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Field of Research
Membrane Transporter Ion Channel ATPase
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
O=C(C)N1N=C(NC(C)=O)S[C@]1(C)C2=CC=CC=C2
Molecular Formula
C13H15N3O2S
Molecular Weight
277.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

K-858

N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is a member of benzenes.

CAS Number72926-24-0
PubChem CID2930014
IUPAC NameN-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Molecular FormulaC13H15N3O2S
Molecular Weight277.34
XLogP1.6
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity418
SMILES
CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
InChIKey
JEFVYQYZCAVNTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of K-858
CAS: 72926-24-0
CID: 2930014
Formula: C13H15N3O2S
MW: 277.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.34
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass277.08849790
Monoisotopic Mass277.08849790
Topological Polar Surface Area87.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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