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SU 11274

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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 Molecular Structure of 658084-23-2 (SU 11274) Hazard Symbols IrritantXi
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;

 

SU 11274 Specification

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

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