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BCL6-IN-4

CAT: 0607-BA3355-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3355-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2253879-65-9
Form
A solid
Molecular Formula
C25H35ClN6O3
Molecular Weight
503.04
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Bcl6-IN-4
CAS Number2253879-65-9
PubChem CID135386972
IUPAC Name5-[[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
Molecular FormulaC25H35ClN6O3
Molecular Weight503.0
XLogP3.3
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity764
SMILES
CC1(CN(CC(O1)(C)C)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)N4CCC(C)(C)O)C)Cl)C
InChI
InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
InChIKey
BGCPLWWYPZAURQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcl6-IN-4
CAS: 2253879-65-9
CID: 135386972
Formula: C25H35ClN6O3
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.0
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass502.2459167
Monoisotopic Mass502.2459167
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity764
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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