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(S) -ZINC-3573

CAT: 0931-T41187Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T41187Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095596-11-3
Target
Others, MRGPR
Related Pathways
Others, GPCR/G Protein
Bioactivity
(S) -ZINC 3573 is a negative control for (R) -ZINC 3573. (S) -ZINC 3573 displays no activity at MRGPRX2 at concentrations below 100 μM.
Smiles
CN(C)[C@H]1CCN(C1)c1cc(nc2ccnn12)-c1ccccc1
Molecular Formula
C18H21N5
Molecular Weight
307.401
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-Zinc-5373
CAS Number2095596-11-3
PubChem CID95882508
IUPAC Name(3S)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
Molecular FormulaC18H21N5
Molecular Weight307.4
XLogP2.7
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity395
SMILES
CN(C)[C@H]1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4
InChI
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m0/s1
InChIKey
XKBSPAZCFAIBJL-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (S)-Zinc-5373
CAS: 2095596-11-3
CID: 95882508
Formula: C18H21N5
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass307.17969569
Monoisotopic Mass307.17969569
Topological Polar Surface Area36.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity395
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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Alternative Products

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GTR19188522(S) -ZINC-3573
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