4478-2565 Screening compound: 2-ethyl 4-methyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate

4478-2565 Screening compound: 2-ethyl 4-methyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate
4478-2565 Screening compound: 2-ethyl 4-methyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-2565
2-ethyl 4-methyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate

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

4478-2565

Molecular Formula

C12H12F3NO5S (C12 H12 F3 NO5 S)

Compound Name

2-ethyl 4-methyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate

IUPAC name

2-ethyl 4-methyl 3-methyl-5-(222-trifluoroacetamido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(C)c(C(OC)=O)c(NC(C(F)(F)F)=O)s1)=O

InChI

InChI=1S/C12H12F3NO5S/c1-4-21-10(18)7-5(2)6(9(17)20-3)8(22-7)16-11(19)12(13,14)15/h4H2,1-3H3,(H,16,19)

InChI Key

JMPWFRBPRWYOTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01134195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

-3.426

Water Solubility, LogSw

-2.66

Polar Surface Area

65.323

Acid Dissociation Constant (pKa)

1.49

Base Dissociation Constant (pKb)

-11.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4478-2565 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4478-2565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-2565?
Check Price and Availability of 4478-2565, 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 4478-2565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-2565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-2565
  • 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 4478-2565 available by request