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GSK2983559-AM

CAT: 0498-bs-6670C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6670C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1423186-80-4
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC(C)(C)S(=O)(=O)C1C=C2C(NC3=CC4N=CSC=4C=C3)=NC=NC2=CC=1OCCO
Molecular Formula
C21 H22 N4 O4 S2
Molecular Weight
458.55
InChI
InChI=1S/C21H22N4O4S2/c1-21 (2,3) 31 (27,28) 19-9-14-15 (10-17 (19) 29-7-6-26) 22-11-23-20 (14) 25-13-4-5-18-16 (8-13) 24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3, (H,22,23,25)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

GSK2983559 active metabolite
CAS Number1423186-80-4
PubChem CID71258526
IUPAC Name2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethanol
Molecular FormulaC21H22N4O4S2
Molecular Weight458.6
XLogP3.4
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
CC(C)(C)S(=O)(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4)OCCO
InChI
InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)
InChIKey
UHDOJINBFLDQJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GSK2983559 active metabolite
CAS: 1423186-80-4
CID: 71258526
Formula: C21H22N4O4S2
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass458.10824754
Monoisotopic Mass458.10824754
Topological Polar Surface Area151 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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