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Ro-3306

CAT: 0931-T2356-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2356-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872573-93-8
Target
PKC, PKA, ERK, SGK, Apoptosis, CDK
Related Pathways
Metabolism, Cytoskeletal Signaling, Chromatin/Epigenetic, MAPK, Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors, Apoptosis
Purity
0.9979
Bioactivity
RO-3306 is a selectivity ATP-competitive CDK1 inhibitor (Ki: 20 nM) . The selectivity of RO-3306 for CDK1 is >15-fold higher than a diverse panel of human kinases.
Smiles
O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1
Molecular Formula
C18H13N3OS2
Molecular Weight
351.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
CAS Number872573-93-8
PubChem CID135400873
IUPAC Name(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
Molecular FormulaC18H13N3OS2
Molecular Weight351.4
XLogP4
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity548
SMILES
C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1
InChI
InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
InChIKey
XOLMRFUGOINFDQ-YBEGLDIGSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
CAS: 872573-93-8
CID: 135400873
Formula: C18H13N3OS2
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass351.05000439
Monoisotopic Mass351.05000439
Topological Polar Surface Area108 Ų
Heavy Atom Count24
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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256484-01Ro 3306

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