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CCT020312

CAT: 0013-GTR19203856-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203856-05Size:25 mg
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Description
CCT020312
CAS Number
324759-76-4
Product Name Alternative
CCT020312, CCT-020312, CCT 020312, EIF2AK3/PERK
Field of Research
Cell Biology
Purity
98.20% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (6.15 mM) ; DMSO:145 mg/mL (222.94 mM)
Smiles
CCN (CC) CCC (=O) N1N=C (CC1c1ccc (Br) cc1) c1c (-c2ccccc2) c2cc (Br) ccc2[nH]c1=O
Molecular Formula
C31H30Br2N4O2
Molecular Weight
650.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CAS Number324759-76-4
PubChem CID3108148
IUPAC Name6-bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Molecular FormulaC31H30Br2N4O2
Molecular Weight650.4
XLogP5.6
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity950
SMILES
CCN(CC)CCC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C31H30Br2N4O2/c1-3-36(4-2)17-16-28(38)37-27(20-10-12-22(32)13-11-20)19-26(35-37)30-29(21-8-6-5-7-9-21)24-18-23(33)14-15-25(24)34-31(30)39/h5-15,18,27H,3-4,16-17,19H2,1-2H3,(H,34,39)
InChIKey
OAXDKXMGESZLKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-3-[3-(4-bromophenyl)-2-[3-(diethylamino)propanoyl]-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CAS: 324759-76-4
CID: 3108148
Formula: C31H30Br2N4O2
MW: 650.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass650.07150
Monoisotopic Mass648.07355
Topological Polar Surface Area65 Ų
Heavy Atom Count39
Formal Charge0
Complexity950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3586-5.1CCT020312
A19137-50CCT020312 50mg
A19137-100CCT020312 100mg
A19137-25CCT020312 25mg
A19137-1CCT020312 1mg
A19137-500CCT020312 500mg
A19137-10CCT020312 10mg
A19137-5CCT020312 5mg
A19137-10mM-DCCT020312 10mM * 1mL in DMSO

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