Basic Information | Post buying leads | Suppliers |
Name |
SU 11274 |
EINECS | N/A |
CAS No. | 658084-23-2 | Density | 1.401 g/cm3 |
PSA | 114.20000 | LogP | 5.08490 |
Solubility | DMSO: 10 mg/mL at 60 °C | Melting Point |
N/A |
Formula | C28H30ClN5O4S | Boiling Point | N/A |
Molecular Weight | 568.096 | Flash Point | N/A |
Transport Information | N/A | Appearance | orange powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
SU 11274;(3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide;PKI-SU11274;N-(3-Chlorophenyl)-N-methyl-3-[[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl]methylene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; |
The systematic name of SU 11274 is (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide. With the CAS registry number 658084-23-2, it is also named as N-(3-Chlorophenyl)-N-methyl-3-[[3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl]methylene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide. Besides, it is orange powder, which should be stored at 2-8 °C. In addition, its molecular formula is C28H30ClN5O4S and molecular weight is 568.09.
The other characteristics of SU 11274 can be summarized as: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 11; (8)ACD/KOC (pH 7.4): 253; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 114.2 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 150.407 cm3; (15)Molar Volume: 405.468 cm3; (16)Polarizability: 59.626×10-24cm3; (17)Surface Tension: 63.331 dyne/cm; (18)Density: 1.401 g/cm3; (19)solubility: DMSO: 10 mg/mL at 60 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C
(2)InChI: InChI=1/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
(3)InChIKey: FPYJSJDOHRDAMT-KQWNVCNZBX
(4)Std. InChI: InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
(5)Std. InChIKey: FPYJSJDOHRDAMT-KQWNVCNZSA-N