MedKoo Cat#: 462379 | Name: S516
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

S516 is an active metabolite of CKD-516 and a potent tubulin polymerization inhibitor.

Chemical Structure

S516
S516
CAS#1016543-77-3

Theoretical Analysis

MedKoo Cat#: 462379

Name: S516

CAS#: 1016543-77-3

Chemical Formula: C21H19N5O4S

Exact Mass: 437.1158

Molecular Weight: 437.47

Elemental Analysis: C, 57.66; H, 4.38; N, 16.01; O, 14.63; S, 7.33

Price and Availability

Size Price Availability Quantity
5mg USD 530.00 2 Weeks
10mg USD 840.00 2 Weeks
25mg USD 1,440.00 2 Weeks
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Related CAS #
No Data
Synonym
S516; S 516; S-516
IUPAC/Chemical Name
(4-(2-aminothiazol-4-yl)-2-(1H-1,2,4-triazol-1-yl)phenyl)(3,4,5-trimethoxyphenyl)methanone
InChi Key
OJZSPKKXYGZDRQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H19N5O4S/c1-28-17-7-13(8-18(29-2)20(17)30-3)19(27)14-5-4-12(15-9-31-21(22)25-15)6-16(14)26-11-23-10-24-26/h4-11H,1-3H3,(H2,22,25)
SMILES Code
O=C(C1=CC=C(C2=CSC(N)=N2)C=C1N3N=CN=C3)C4=CC(OC)=C(OC)C(OC)=C4
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Solvent mg/mL mM
Solubility
DMSO 12.5 28.57
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 437.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Lee J, Kim SJ, Choi H, et al. Identification of CKD-516: a potent tubulin polymerization inhibitor with marked antitumor activity against murine and human solid tumors. J Med Chem. 2010;53(17):6337-6354. doi:10.1021/jm1002414