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RAD51-IN-5

CAT: 0607-BA4479-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4479-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2690367-19-0
Form
A solid
Molecular Formula
C26H38N4O5S2
Molecular Weight
550.73
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Rad51-IN-5
CAS Number2690367-19-0
PubChem CID163408792
IUPAC Namepropan-2-yl N-[4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]-3-(propan-2-ylsulfonimidoyl)phenyl]carbamate
Molecular FormulaC26H38N4O5S2
Molecular Weight550.7
XLogP6.2
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity884
SMILES
CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=N)(=O)C(C)C
InChI
InChI=1S/C26H38N4O5S2/c1-15(2)34-25(31)29-19-9-7-18(8-10-19)24-28-14-22(36-24)21-12-11-20(30-26(32)35-16(3)4)13-23(21)37(27,33)17(5)6/h11-19,27H,7-10H2,1-6H3,(H,29,31)(H,30,32)
InChIKey
IFAJQXQNZPNAHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rad51-IN-5
CAS: 2690367-19-0
CID: 163408792
Formula: C26H38N4O5S2
MW: 550.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.7
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass550.22836267
Monoisotopic Mass550.22836267
Topological Polar Surface Area167 Ų
Heavy Atom Count37
Formal Charge0
Complexity884
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

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