1630-0455 Screening compound: 2,4-diethyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate

1630-0455 Screening compound: 2,4-diethyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate
1630-0455 Screening compound: 2,4-diethyl 3-methyl-5-(2,2,2-trifluoroacetamido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0455
2,4-diethyl 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

1630-0455

Molecular Formula

C13H14F3NO5S (C13 H14 F3 NO5 S)

Compound Name

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

IUPAC name

24-diethyl 3-methyl-5-(222-trifluoroacetamido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(C(F)(F)F)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C13H14F3NO5S/c1-4-21-10(18)7-6(3)8(11(19)22-5-2)23-9(7)17-12(20)13(14,15)16/h4-5H2,1-3H3,(H,17,20)

InChI Key

UOPNPLXVIHOYFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00275312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

-3.044

Water Solubility, LogSw

-3.11

Polar Surface Area

64.903

Acid Dissociation Constant (pKa)

1.49

Base Dissociation Constant (pKb)

-11.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

1630-0455 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1630-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0455?
Check Price and Availability of 1630-0455, 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 1630-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0455
  • 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 1630-0455 available by request