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BBT594

CAT: 1410-M20783-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M20783-05Size:50 mg
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Description
BBT594 (NVP-BBT594) is a potent inhibitor of receptor tyrosine kinase RETTreatment of cancer.
CAS Number
882405-89-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
569.58
Molecular Formula
C28H30F3N7O3
Notes
Research use only, not for human use.
Receptor
RET

Chemical Information

Nvp-bbt594
CAS Number882405-89-2
PubChem CID59596344
IUPAC Name5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
Molecular FormulaC28H30F3N7O3
Molecular Weight569.6
XLogP2.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity904
SMILES
CC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)N(CC3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F
InChI
InChI=1S/C28H30F3N7O3/c1-18(39)34-25-15-26(33-17-32-25)41-22-5-6-24-19(13-22)7-8-38(24)27(40)35-21-4-3-20(23(14-21)28(29,30)31)16-37-11-9-36(2)10-12-37/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,35,40)(H,32,33,34,39)
InChIKey
VQLNKQZLPGLOSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-bbt594
CAS: 882405-89-2
CID: 59596344
Formula: C28H30F3N7O3
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass569.23622233
Monoisotopic Mass569.23622233
Topological Polar Surface Area103 Ų
Heavy Atom Count41
Formal Charge0
Complexity904
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

Alternative Products

CatalogName
BA8997-5.1BBT594
A21039-5BBT594 5mg
A21039-100BBT594 100mg
A21039-10BBT594 10mg
A21039-50BBT594 50mg
A21039-25BBT594 25mg
A21039-1BBT594 1mg
A21039-10mM-DBBT594 10mM * 1mL in DMSO

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