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HA130

CAT: 0931-T2646-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T2646-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1229652-21-4
Target
PDE
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
HA130 is a selective ATX (autotaxin) inhibitor.
Smiles
OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1
Molecular Formula
C24H19BFNO5S
Molecular Weight
463.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Z)-(3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)phenyl)boronic acid
CAS Number1229652-21-4
PubChem CID46911532
IUPAC Name[3-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]phenyl]boronic acid
Molecular FormulaC24H19BFNO5S
Molecular Weight463.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity722
SMILES
B(C1=CC(=CC=C1)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)(O)O
InChI
InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
InChIKey
VTNKMYWFWQTEHE-XKZIYDEJSA-N
Chemical Structure
2D Structure
2D structure of (Z)-(3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)phenyl)boronic acid
CAS: 1229652-21-4
CID: 46911532
Formula: C24H19BFNO5S
MW: 463.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass463.1061022
Monoisotopic Mass463.1061022
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity722
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

Alternative Products

CatalogName
BUP10076-01HA130
A15546-5HA130 5mg
A15546-100HA130 100mg
A15546-50HA130 50mg
A15546-2HA130 2mg
A15546-200HA130 200mg
A15546-25HA130 25mg
A15546-10HA130 10mg
SD7225-5mgHA130 (Autotaxin inhibitor)
A15546-10mM-DHA130 10mM * 1mL in DMSO

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