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SREBP/SCAP-IN-2

CAT: 0931-T81104-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81104-01Size:5 mg
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CAS Number
2763493-94-1
Target
Fatty Acid Synthase, Others
Related Pathways
Others, Metabolism
Bioactivity
SREBP/SCAP-IN-2 (compound 13) acts as a selective inhibitor of SREBP/SCAP [1].
Smiles
C[C@@]12[C@](\C(=C\CN3N=C(N=N3)C4=C(Cl)C=CC=C4)\CCC1)(CC[C@@]2([C@@H](CCC(C(C)(C)O)(F)F)C)[H])[H]
Molecular Formula
C27H37ClF2N4O
Molecular Weight
507.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Srebp/scap-IN-2
CAS Number2763493-94-1
PubChem CID163624552
IUPAC Name(6R)-6-[(1R,3aS,4E,7aR)-4-[2-[5-(2-chlorophenyl)tetrazol-2-yl]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3,3-difluoro-2-methylheptan-2-ol
Molecular FormulaC27H37ClF2N4O
Molecular Weight507.1
XLogP7.7
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity765
SMILES
C[C@H](CCC(C(C)(C)O)(F)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\CN3N=C(N=N3)C4=CC=CC=C4Cl)C
InChI
InChI=1S/C27H37ClF2N4O/c1-18(13-16-27(29,30)25(2,3)35)21-11-12-22-19(8-7-15-26(21,22)4)14-17-34-32-24(31-33-34)20-9-5-6-10-23(20)28/h5-6,9-10,14,18,21-22,35H,7-8,11-13,15-17H2,1-4H3/b19-14+/t18-,21-,22+,26-/m1/s1
InChIKey
UKVHRNXPYYONGQ-BAPRXCICSA-N
Chemical Structure
2D Structure
2D structure of Srebp/scap-IN-2
CAS: 2763493-94-1
CID: 163624552
Formula: C27H37ClF2N4O
MW: 507.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight507.1
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass506.2623958
Monoisotopic Mass506.2623958
Topological Polar Surface Area63.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes