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CRAC intermediate 1

CAT: 0804-HY-20587-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-20587-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CRAC intermediate 1 is a key intermediate in the chemical synthesis of a series of CRAC channel inhibitors, detailed information can be found in Patent WO 2010122089 A1, intermediate 9.
CAS Number
1249343-86-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CRAC Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/CRAC-intermediate-1.html
Concentration
10mM
Purity
98.46
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(C1=C(F)C=CC=C1F)NC2=NNC=C2
Molecular Formula
C10H7F2N3O
Molecular Weight
223.18
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2,6-Difluoro-N-(1H-pyrazol-3-yl)benzamide
CAS Number1249343-86-9
PubChem CID59547942
IUPAC Name2,6-difluoro-N-(1H-pyrazol-5-yl)benzamide
Molecular FormulaC10H7F2N3O
Molecular Weight223.18
XLogP1.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity254
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC2=CC=NN2)F
InChI
InChI=1S/C10H7F2N3O/c11-6-2-1-3-7(12)9(6)10(16)14-8-4-5-13-15-8/h1-5H,(H2,13,14,15,16)
InChIKey
UMBVHXNGQIFPCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Difluoro-N-(1H-pyrazol-3-yl)benzamide
CAS: 1249343-86-9
CID: 59547942
Formula: C10H7F2N3O
MW: 223.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.18
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass223.05571818
Monoisotopic Mass223.05571818
Topological Polar Surface Area57.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity254
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

CatalogName
A9015-5CRAC intermediate 1
T10885-01CRAC intermediate 2
A13753-200CRAC intermediate 2 200mg
A20601-100CRAC intermediate 1 100mg
A20601-200CRAC intermediate 1 200mg
A20601-10CRAC intermediate 1 10mg
A20601-5CRAC intermediate 1 5mg
A13753-25CRAC intermediate 2 25mg
A13753-5CRAC intermediate 2 5mg
A13753-100CRAC intermediate 2 100mg

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