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GSK-626616

CAT: 0572-TRC-G797853-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G797853-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1025821-33-3
Synonyms
GSK 626616; GSK-626616
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Clc1cccc(Cl)c1NC2=NC(=O)\C(=C\c3ccc4nccnc4c3)\S2
Molecular Formula
C18H10Cl2N4OS
Molecular Weight
401.27
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Gsk-626616
CAS Number1025821-33-3
PubChem CID135416229
IUPAC Name(5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
Molecular FormulaC18H10Cl2N4OS
Molecular Weight401.3
XLogP4.6
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity604
SMILES
C1=CC(=C(C(=C1)Cl)N=C2NC(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/S2)Cl
InChI
InChI=1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-
InChIKey
RJPNRXFBYZVRIB-DHDCSXOGSA-N
Chemical Structure
2D Structure
2D structure of Gsk-626616
CAS: 1025821-33-3
CID: 135416229
Formula: C18H10Cl2N4OS
MW: 401.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass399.9952375
Monoisotopic Mass399.9952375
Topological Polar Surface Area92.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA8904-50GSK-626616
6638/10GSK 626616
A19273-50GSK-626616 50mg
A19273-100GSK-626616 100mg
A19273-10GSK-626616 10mg
A19273-5GSK-626616 5mg
A19273-25GSK-626616 25mg
A19273-1GSK-626616 1mg
BG300011GSK 626616 - Bio-X TM
A19273-10mM-DGSK-626616 10mM * 1mL in DMSO

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