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Molibresib besylate

CAT: 0127-BUP20695Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20695Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426543-84-1
Synonyms
I-BET 762 besylate , GSK 525762C
Purity
=98%
Smiles
O=P(O)(O)O.FC=1C=C(C=C(F)C1CNC2CC=3C=CC=CC3C2)C4=CC=CC(=C4)C5=NN=CN5

Chemical Information

N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;phosphoric acid
CAS Number1426543-84-1
PubChem CID139035012
IUPAC NameN-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;phosphoric acid
Molecular FormulaC24H23F2N4O4P
Molecular Weight500.4
Topological Polar Surface Area131
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity587
SMILES
C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F.OP(=O)(O)O
InChI
InChI=1S/C24H20F2N4.H3O4P/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20;1-5(2,3)4/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30);(H3,1,2,3,4)
InChIKey
UFBNUIOVFUNXNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;phosphoric acid
CAS: 1426543-84-1
CID: 139035012
Formula: C24H23F2N4O4P
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass500.14249855
Monoisotopic Mass500.14249855
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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