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SB 706504

CAT: 0013-GTR19200853-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200853-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SB 706504
CAS Number
911110-38-8
Product Name Alternative
SB 706504, SB-706504, BLZ945 hydrochloride, BLZ-945 hydrochloride
Field of Research
Cell Biology, Signal Transduction
Purity
98.68% (May vary between batches)
Solubility
DMSO:<49.25 mg/mL
Smiles
O=C1N (C=2C (=C (N=C (NCCNC (NC#N) =N) N2) C3=C (C) C=C (F) C=C3) C=C1) C4=C (F) C=CC=C4F
Molecular Formula
C24H19F3N8O
Molecular Weight
492.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 11853799
CAS Number911110-38-8
PubChem CID11853799
IUPAC Name1-cyano-2-[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]guanidine
Molecular FormulaC24H19F3N8O
Molecular Weight492.5
XLogP3.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity884
SMILES
CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NCCN=C(N)NC#N)C4=C(C=CC=C4F)F
InChI
InChI=1S/C24H19F3N8O/c1-13-11-14(25)5-6-15(13)20-16-7-8-19(36)35(21-17(26)3-2-4-18(21)27)22(16)34-24(33-20)31-10-9-30-23(29)32-12-28/h2-8,11H,9-10H2,1H3,(H3,29,30,32)(H,31,33,34)
InChIKey
ZQFBVJBAWLZLOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 11853799
CAS: 911110-38-8
CID: 11853799
Formula: C24H19F3N8O
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass492.16339175
Monoisotopic Mass492.16339175
Topological Polar Surface Area132 Ų
Heavy Atom Count36
Formal Charge0
Complexity884
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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