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Sirtuin modulator 1

CAT: 0127-BUP06783-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06783-01Size:5 mg
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CAS Number
2070015-26-6
Synonyms
SRT3025 Hydrochloride
Purity
=98%
Smiles
Cl.COCCCc1sc(nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1)-c1ccccc1

Chemical Information

SRT3025 HCl
CAS Number2070015-26-6
PubChem CID118986647
IUPAC Name5-(3-methoxypropyl)-2-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
Molecular FormulaC31H32ClN5O2S2
Molecular Weight606.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity811
SMILES
COCCCC1=C(N=C(S1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(S4)N=CC(=C5)CN6CCCC6.Cl
InChI
InChI=1S/C31H31N5O2S2.ClH/c1-38-17-9-14-26-27(35-29(39-26)22-10-3-2-4-11-22)28(37)33-24-13-6-5-12-23(24)30-34-25-18-21(19-32-31(25)40-30)20-36-15-7-8-16-36;/h2-6,10-13,18-19H,7-9,14-17,20H2,1H3,(H,33,37);1H
InChIKey
LGRBDTOIPNDWMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SRT3025 HCl
CAS: 2070015-26-6
CID: 118986647
Formula: C31H32ClN5O2S2
MW: 606.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass605.1685953
Monoisotopic Mass605.1685953
Topological Polar Surface Area137 Ų
Heavy Atom Count41
Formal Charge0
Complexity811
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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