2189-1352 Screening compound: 2,4-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

2189-1352 Screening compound: 2,4-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
2189-1352 Screening compound: 2,4-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1352
2,4-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-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

2189-1352

Molecular Formula

C20H20FNO5S (C20 H20 FNO5 S)

Compound Name

2,4-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[(2E)-3-(4-fluorophenyl)prop-2-enamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2)ccc2F)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H20FNO5S/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)28-18(16)22-15(23)11-8-13-6-9-14(21)10-7-13/h6-11H,4-5H2,1-3H3,(H,22,23)

InChI Key

QCTRQECFPKBRIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01166056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-4.41

Polar Surface Area

64.418

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2189-1352 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2189-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1352?
Check Price and Availability of 2189-1352, 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 2189-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1352
  • 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 2189-1352 available by request