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IMR-1A

CAT: 0013-GTR19160353-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160353-07Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IMR-1A is a metabolite of IMR-1. IMR-1A acts as Notch inhibitor and targeting gene transcription by disrupting Mam1 recruitment to chromatin.
CAS Number
331862-41-0
Product Name Alternative
IMR-1A | IMR 1A | Inhibitor of Mastermind Recruitment-1 Acid
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 31 mg/mL; 95.28 mM
Smiles
O=C (O) COc1ccc (/C=C/2\SC (=S) NC2=O) cc1OC
Molecular Formula
C13H11NO5S2
Molecular Weight
325.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-[2-Methoxy-4-[ (Z) - (4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene) methyl]phenoxy]acetic acid

Chemical Information

{2-methoxy-4-[(E)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]phenoxy}acetic acid
CAS Number331862-41-0
PubChem CID1354721
IUPAC Name2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Molecular FormulaC13H11NO5S2
Molecular Weight325.4
XLogP2.3
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity479
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)OCC(=O)O
InChI
InChI=1S/C13H11NO5S2/c1-18-9-4-7(2-3-8(9)19-6-11(15)16)5-10-12(17)14-13(20)21-10/h2-5H,6H2,1H3,(H,15,16)(H,14,17,20)/b10-5+
InChIKey
DVBJNSKWHSGTDK-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of {2-methoxy-4-[(E)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]phenoxy}acetic acid
CAS: 331862-41-0
CID: 1354721
Formula: C13H11NO5S2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass325.00786480
Monoisotopic Mass325.00786480
Topological Polar Surface Area142 Ų
Heavy Atom Count21
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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