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SCD1 inhibitor-1

CAT: 1410-M19389-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SCD1 inhibitor-1 is a potent and liver-selective stearoyl-CoA desaturase-1 (SCD1) inhibitor.
CAS Number
1069094-65-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
451.54
Molecular Formula
C₂₁H₂₂N₃NaO₃S₂
Notes
Research use only, not for human use.
Receptor
Stearoyl-CoA desaturase-1 (SCD1)

Chemical Information

SCD1 inhibitor-1
CAS Number1069094-65-0
PubChem CID138454751
IUPAC Namesodium 2-[2-[[5-[(2-butylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
Molecular FormulaC21H22N3NaO3S2
Molecular Weight451.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity558
SMILES
CCCCC1=CC=CC=C1NCC2=CC=C(S2)C(=O)NC3=NC(=CS3)CC(=O)[O-].[Na+]
InChI
InChI=1S/C21H23N3O3S2.Na/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26;/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27);/q;+1/p-1
InChIKey
XQNBRLFLBSUHOU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of SCD1 inhibitor-1
CAS: 1069094-65-0
CID: 138454751
Formula: C21H22N3NaO3S2
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass451.10002820
Monoisotopic Mass451.10002820
Topological Polar Surface Area151 Ų
Heavy Atom Count30
Formal Charge0
Complexity558
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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Alternative Products

CatalogName
MBS3609382-01SCD1 inhibitor-1
1716-5SCD1 Inhibitor
A19205-25SCD1 inhibitor-1 25mg
A19205-100SCD1 inhibitor-1 100mg
A19205-10SCD1 inhibitor-1 10mg
A19205-5SCD1 inhibitor-1 5mg
A19205-50SCD1 inhibitor-1 50mg
A19205-1SCD1 inhibitor-1 1mg
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