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Prazobind

CAT: 0013-GTR19192029-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192029-03Size:10 mg
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Description
Prazobind
CAS Number
107021-36-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
COc1cc2nc (nc (N) c2cc1OC) N1CCN (CC1) C (=O) C1=CC2CCC1C=C2 |c:33, t:26|
Molecular Formula
C23H27N5O3
Molecular Weight
421.501
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Szl 49

structure given in first source

CAS Number107021-36-3
PubChem CID4892
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2-bicyclo[2.2.2]octa-2,5-dienyl)methanone
Molecular FormulaC23H27N5O3
Molecular Weight421.5
XLogP3
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity735
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC5CCC4C=C5)N)OC
InChI
InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)
InChIKey
MXXRJJCMLRPJOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Szl 49
CAS: 107021-36-3
CID: 4892
Formula: C23H27N5O3
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass421.21138974
Monoisotopic Mass421.21138974
Topological Polar Surface Area93.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
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-208183Prazobind
HY-118335S-01Prazobind-d8
P5661Prazobind (1- (4-Amino-6,7-dimethoxy-2-quinazolinyl) -4- (2-bicyclo[2.2.2]octa-2,5-dienyl-carbonyl) -piperazine, SZL-49)
MBS6049876-01Prazobind (1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-bicyclo[2.2.2]octa-2,5-dienyl-carbonyl)-piperazine, SZL-49)

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