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BMS-763534

CAT: 0931-T71294-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71294-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1188407-40-0
Target
CRFR, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
BMS-763534 is a potent antagonist of corticotropin-releasing factor/hormone receptor 1 (CRHR-1) .
Smiles
[C@H](COC)(N1C(=O)C(NC2=C(C)N=C(OC(F)F)C(C)=C2)=NC(Cl)=C1)C3CC3
Molecular Formula
C18H21ClF2N4O3
Molecular Weight
414.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CAS Number1188407-40-0
PubChem CID44596589
IUPAC Name5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
Molecular FormulaC18H21ClF2N4O3
Molecular Weight414.8
XLogP3.3
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity644
SMILES
CC1=CC(=C(N=C1OC(F)F)C)NC2=NC(=CN(C2=O)[C@H](COC)C3CC3)Cl
InChI
InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKey
CBVDPVDNACOCTI-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CAS: 1188407-40-0
CID: 44596589
Formula: C18H21ClF2N4O3
MW: 414.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass414.1270246
Monoisotopic Mass414.1270246
Topological Polar Surface Area76.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity644
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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