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CW-069

CAT: 0931-T6209-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6209-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1594094-64-0
Target
Kinesin, Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Purity
0.9952
Bioactivity
CW-069 (IC50=75 μM), an allosteric selective inhibitor of microtubule motor protein HSET, exhibits remarkable specificity over KSP.
Smiles
OC(=O)c1cc(I)ccc1NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1
Molecular Formula
C23H21IN2O3
Molecular Weight
500.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-2-(2-(Benzylamino)-3-phenylpropanamido)-5-iodobenzoic acid
CAS Number1594094-64-0
PubChem CID73427517
IUPAC Name2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-5-iodobenzoic acid
Molecular FormulaC23H21IN2O3
Molecular Weight500.3
XLogP2.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity532
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C=C(C=C2)I)C(=O)O)NCC3=CC=CC=C3
InChI
InChI=1S/C23H21IN2O3/c24-18-11-12-20(19(14-18)23(28)29)26-22(27)21(13-16-7-3-1-4-8-16)25-15-17-9-5-2-6-10-17/h1-12,14,21,25H,13,15H2,(H,26,27)(H,28,29)/t21-/m0/s1
InChIKey
IRDIXDXDSUBHIU-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(2-(Benzylamino)-3-phenylpropanamido)-5-iodobenzoic acid
CAS: 1594094-64-0
CID: 73427517
Formula: C23H21IN2O3
MW: 500.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.3
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass500.05969
Monoisotopic Mass500.05969
Topological Polar Surface Area78.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity532
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

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