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CC-401

CAT: 0607-B1260-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1260-10Size:10 mg
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Description
JNK inhibitor,ATP-competitive
CAS Number
395104-30-0
Product Name Alternative
3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
Field of Research
MAPK Signaling JNK
Purity
0.9815
Form
A solid
Solubility
≥19.4 mg/mL in DMSO; ≥2.32 mg/mL in EtOH with ultrasonic; ≥8.7 mg/mL in H2O
Smiles
C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
Molecular Formula
C22H24N6O
Molecular Weight
388.47
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cc-401

3-[3-[2-(1-piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is a member of pyrazoles and a ring assembly.

CAS Number395104-30-0
PubChem CID10430360
IUPAC Name3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
Molecular FormulaC22H24N6O
Molecular Weight388.5
XLogP3.8
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity516
SMILES
C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)
InChIKey
XDJCLCLBSGGNKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cc-401
CAS: 395104-30-0
CID: 10430360
Formula: C22H24N6O
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass388.20115941
Monoisotopic Mass388.20115941
Topological Polar Surface Area82.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity516
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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Alternative Products

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sc-364748CC-401
MBS132131-01CC 401
T36673-01CC 401 dihydrochloride
MBS3601859-01CC-401 hydrochloride
A11352-10CC-401 10mg
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