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IL-15-IN-1

CAT: 0607-BA6016-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6016-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1831830-20-6
Form
A solid
Molecular Formula
C30H36N6O4S
Molecular Weight
576.71
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

ethyl 3-[8-({4-methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)octanamido]benzoate
CAS Number1831830-20-6
PubChem CID129320517
IUPAC Nameethyl 3-[8-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanoylamino]benzoate
Molecular FormulaC30H36N6O4S
Molecular Weight576.7
XLogP4.4
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count41
Formal Charge0
Complexity919
SMILES
CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCCCCCSC2=NN=C(N2C)CC3=NN(C(=O)C4=CC=CC=C43)C
InChI
InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)
InChIKey
GWNFQAKCJYEJEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethyl 3-[8-({4-methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)octanamido]benzoate
CAS: 1831830-20-6
CID: 129320517
Formula: C30H36N6O4S
MW: 576.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.7
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass576.25187482
Monoisotopic Mass576.25187482
Topological Polar Surface Area144 Ų
Heavy Atom Count41
Formal Charge0
Complexity919
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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HY-102049-01IL-15-IN-1
A20113-100IL-15-IN-1 100mg
A20113-200IL-15-IN-1 200mg
A20113-1IL-15-IN-1 1mg
A20113-25IL-15-IN-1 25mg
A20113-10IL-15-IN-1 10mg
A20113-5IL-15-IN-1 5mg
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