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Crolibulin

CAT: 1410-M26657-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M26657-06Size:50 mg
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Description
Crolibulin is an inhibitor of small molecule tubulin polymerization.
CAS Number
1000852-17-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
417.263
Molecular Formula
C18H17BrN4O3
Notes
Research use only, not for human use.
Receptor
Lysosomal cysteine protease| Proton pump

Chemical Information

Crolibulin

Crolibulin is a neoflavonoid.

CAS Number1000852-17-4
PubChem CID23649181
IUPAC Name(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
Molecular FormulaC18H17BrN4O3
Molecular Weight417.3
XLogP2.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity606
SMILES
COC1=C(C(=CC(=C1)[C@@H]2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC
InChI
InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1
InChIKey
JXONINOYTKKXQQ-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Crolibulin
CAS: 1000852-17-4
CID: 23649181
Formula: C18H17BrN4O3
MW: 417.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.3
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass416.04840
Monoisotopic Mass416.04840
Topological Polar Surface Area130 Ų
Heavy Atom Count26
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3122-5.1Crolibulin
A17010-5Crolibulin 5mg
A17010-1Crolibulin 1mg
A17010-50Crolibulin 50mg
A17010-10Crolibulin 10mg
A17010-2Crolibulin 2mg
A17010-100Crolibulin 100mg
A17010-25Crolibulin 25mg
A17010-10mM-DCrolibulin 10mM * 1mL in DMSO

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