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BCL6-IN-6

CAT: 0607-BA5850-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5850-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2408882-54-0
Form
A solid
Molecular Formula
C27H31FN6O2S
Molecular Weight
522.64
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Bcl6-IN-6
CAS Number2408882-54-0
PubChem CID155549001
IUPAC Name5-(cyclopenten-1-yl)-N-[4-[[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
Molecular FormulaC27H31FN6O2S
Molecular Weight522.6
XLogP4.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity810
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(S4)C5=CCCC5)OC)F
InChI
InChI=1S/C27H31FN6O2S/c1-16-14-34(15-17(2)30-16)27-29-13-20(28)25(33-27)31-19-8-9-21(22(12-19)36-3)32-26(35)24-11-10-23(37-24)18-6-4-5-7-18/h6,8-13,16-17,30H,4-5,7,14-15H2,1-3H3,(H,32,35)(H,29,31,33)/t16-,17+
InChIKey
VJFKSXHAFLCLLP-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of Bcl6-IN-6
CAS: 2408882-54-0
CID: 155549001
Formula: C27H31FN6O2S
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass522.22132359
Monoisotopic Mass522.22132359
Topological Polar Surface Area120 Ų
Heavy Atom Count37
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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