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TMP920

CAT: 0931-T17108Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T17108Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1421837-45-7
Target
ROR
Related Pathways
Metabolism
Bioactivity
TMP920 inhibits RORγt binding to the SRC1 peptide (IC50: 0.03 μM) . TMP920 is a highly potent and selective RORγt antagonist.
Smiles
Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1
Molecular Formula
C29H30N2O3
Molecular Weight
454.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide

TMP920 is a highly potent and selective RORgt antagonist. TMP920 inhibits RORgt binding to the SRC1 peptide.

CAS Number1421837-45-7
PubChem CID71493659
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
Molecular FormulaC29H30N2O3
Molecular Weight454.6
XLogP5.8
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity629
SMILES
CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OCC4=C(ON=C4C)C)C
InChI
InChI=1S/C29H30N2O3/c1-19-10-15-26(20(2)16-19)29(24-8-6-5-7-9-24)30-28(32)17-23-11-13-25(14-12-23)33-18-27-21(3)31-34-22(27)4/h5-16,29H,17-18H2,1-4H3,(H,30,32)
InChIKey
SHMBIDOWYJZWLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CAS: 1421837-45-7
CID: 71493659
Formula: C29H30N2O3
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass454.22564282
Monoisotopic Mass454.22564282
Topological Polar Surface Area64.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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