| Identification | Back Directory | [Name]
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- | [CAS]
202592-23-2 | [Synonyms]
3-a][1
186491
CS-2891
6H-Thieno[3
9-trimethyl-
(+)-JQ1 (free acid)
4-(4-chlorophenyl)-2
JQ-1 (carboxylic acid)
(+)-JQ1 carboxylic acid
4]diazepine-6-acetic acid
(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid
(S)-2-[4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic Acid
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)-
(+)-JQ-1 CARBOXYLIC ACID; 6H-THIENO[3;2-F][1;2;4]TRIAZOLO[4;3-A][1;4]DIAZEPINE-6-ACETIC ACID; 4-(4-CHLOROPHENYL)-2;3;9-TRIMETHYL-; (6S)- | [Molecular Formula]
C19H17ClN4O2S | [MDL Number]
MFCD28167916 | [MOL File]
202592-23-2.mol | [Molecular Weight]
400.88 |
| Chemical Properties | Back Directory | [Boiling point ]
661.6±65.0 °C(Predicted) | [density ]
1.51±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
DMSO:43.92(Max Conc. mg/mL);109.56(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.5(Max Conc. mM)
DMF:20.0(Max Conc. mg/mL);49.89(Max Conc. mM)
Ethanol:27.55(Max Conc. mg/mL);68.72(Max Conc. mM) | [form ]
A crystalline solid | [pka]
4.11±0.10(Predicted) | [color ]
Off-white to yellow | [InChI]
InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 | [InChIKey]
LJOSBOOJFIRCSO-AWEZNQCLSA-N | [SMILES]
N12C(C)=NN=C1[C@H](CC(O)=O)N=C(C1=CC=C(Cl)C=C1)C1C(C)=C(C)SC=12 |
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