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MCC1189

CAT: 0013-GTR19199972-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199972-02Size:50 mg
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Description
MCC1189 is a novel, first-in-class small molecule inhibitor targeting the MFS efflux pump CaMdr1p. It serves as a valuable research tool for studying antifungal resistance mechanisms, particularly in Candida albicans, and has demonstrated inhibitory activity in both in vitro assays and model infection studies.
CAS Number
1257542-38-3
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
C (C1=C (NC2=CC=CC=C2) C (=O) C1=O) =C3N (C) C=4C (C3 (C) C) =CC=CC4
Molecular Formula
C22H20N2O2
Molecular Weight
344.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 168012376
CAS Number1257542-38-3
PubChem CID168012376
IUPAC Name3-anilino-4-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
Molecular FormulaC22H20N2O2
Molecular Weight344.4
XLogP4.3
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity682
SMILES
CC\1(C2=CC=CC=C2N(/C1=C/C3=C(C(=O)C3=O)NC4=CC=CC=C4)C)C
InChI
InChI=1S/C22H20N2O2/c1-22(2)16-11-7-8-12-17(16)24(3)18(22)13-15-19(21(26)20(15)25)23-14-9-5-4-6-10-14/h4-13,23H,1-3H3/b18-13+
InChIKey
GHIMFDNERWLZKB-QGOAFFKASA-N
Chemical Structure
2D Structure
2D structure of CID 168012376
CAS: 1257542-38-3
CID: 168012376
Formula: C22H20N2O2
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass344.152477885
Monoisotopic Mass344.152477885
Topological Polar Surface Area49.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity682
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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