8012-0620 Screening compound: ethyl 4-methyl-5-phenyl-2-[(1,1,1-trifluoro-3-methoxy-3-oxo-2-propanamidopropan-2-yl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8012-0620
ethyl 4-methyl-5-phenyl-2-[(1,1,1-trifluoro-3-methoxy-3-oxo-2-propanamidopropan-2-yl)amino]thiophene-3-carboxylate
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
8012-0620
Molecular Formula
C21H23F3N2O5S (C21 H23 F3 N2 O5 S)
Compound Name
ethyl 4-methyl-5-phenyl-2-[(1,1,1-trifluoro-3-methoxy-3-oxo-2-propanamidopropan-2-yl)amino]thiophene-3-carboxylate
IUPAC name
ethyl 4-methyl-5-phenyl-2-[(111-trifluoro-3-methoxy-3-oxo-2-propanamidopropan-2-yl)amino]thiophene-3-carboxylate
SMILES
CCC(NC(C(F)(F)F)(C(OC)=O)Nc1c(C(OCC)=O)c(C)c(-c2ccccc2)s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
472.49
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.396
Distribution Coefficient, logD
4.237
Water Solubility, LogSw
-4.33
Polar Surface Area
75.035
Acid Dissociation Constant (pKa)
7.75
Base Dissociation Constant (pKb)
-8.70
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.10
8012-0620 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- Agro
- Phosphatases
References: we are preparing a list of scientific research reports with 8012-0620 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)