Products for Research Use Only
RegisterLogin

RN941

CAT: 0931-T28547-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T28547-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1360055-03-3
Target
Others
Related Pathways
Others
Bioactivity
RN941 is a highly potent Bruton's tyrosine kinase (BTK) inhibitor.
Smiles
C(O)C1=C(C=CC=C1C=2C=C(NC3=CC=C(C(=O)N4CCOCC4)C=N3)C(=O)N(C)N2)N5C(=O)C=6C(C=N5)=CC(C(C)(C)C)=CC6F
Molecular Formula
C34H34FN7O5
Molecular Weight
639.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-~{Tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
CAS Number1360055-03-3
PubChem CID56656450
IUPAC Name6-tert-butyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]phthalazin-1-one
Molecular FormulaC34H34FN7O5
Molecular Weight639.7
XLogP3
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count47
Formal Charge0
Complexity1290
SMILES
CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)N(N=C2)C3=CC=CC(=C3CO)C4=NN(C(=O)C(=C4)NC5=NC=C(C=C5)C(=O)N6CCOCC6)C
InChI
InChI=1S/C34H34FN7O5/c1-34(2,3)22-14-21-18-37-42(33(46)30(21)25(35)15-22)28-7-5-6-23(24(28)19-43)26-16-27(32(45)40(4)39-26)38-29-9-8-20(17-36-29)31(44)41-10-12-47-13-11-41/h5-9,14-18,43H,10-13,19H2,1-4H3,(H,36,38)
InChIKey
GLLQSOROVXWYRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-~{Tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
CAS: 1360055-03-3
CID: 56656450
Formula: C34H34FN7O5
MW: 639.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.7
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass639.26054537
Monoisotopic Mass639.26054537
Topological Polar Surface Area140 Ų
Heavy Atom Count47
Formal Charge0
Complexity1290
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
MBS5778225RN941

Popular Products