Name: SU 11274
SKU: 658084-23-2

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Basic Information

Molecular Structure:
CAS No.:	658084-23-2
Name:	SU 11274

Formula:	C₂₈H₃₀ClN₅O₄S
Molecular Weight:	568.096
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;
Density:	1.401 g/cm³
Solubility:	DMSO: 10 mg/mL at 60 °C
Appearance:	orange powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	114.20000
LogP:	5.08490

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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