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BDP-13176

CAT: 0013-GTR19155870-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155870-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BDP-13176 is a potent inhibitor of fascin 1 (Kd of 90 nM and an IC50 of 240 nM) . It has potential as an anti-metastatic agent.
CAS Number
2290660-61-4
Purity
>98% (HPLC)
Solubility
DMSO:125 mg/mL (251.32 mM; Need ultrasonic)
Smiles
O=C (NC1=CC=NC=C1) C (C2=C3C=NN2C4CCNCC4) =CN (CC5=CC=C (Cl) C (Cl) =C5) C3=O
Molecular Formula
C24H22Cl2N6O2
Molecular Weight
497.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,3-c]pyridine-7-carboxamide
CAS Number2290660-61-4
PubChem CID137333984
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,5-c]pyridine-7-carboxamide
Molecular FormulaC24H22Cl2N6O2
Molecular Weight497.4
XLogP2.1
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity785
SMILES
C1CNCCC1N2C3=C(C=N2)C(=O)N(C=C3C(=O)NC4=CC=NC=C4)CC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)
InChIKey
BMOUOZDRMBLNSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,3-c]pyridine-7-carboxamide
CAS: 2290660-61-4
CID: 137333984
Formula: C24H22Cl2N6O2
MW: 497.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass496.1181294
Monoisotopic Mass496.1181294
Topological Polar Surface Area92.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity785
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

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