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

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
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 alternative view

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

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

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • 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

How to purchase chemical compound 8012-0620?
Check Price and Availability of 8012-0620, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0620
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8012-0620 available by request