2126-1176 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-5-ethylthiophene-3-carboxylate

2126-1176 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-5-ethylthiophene-3-carboxylate
2126-1176 Screening compound: ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-5-ethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2126-1176
ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-5-ethylthiophene-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

2126-1176

Molecular Formula

C17H17Cl2NO4S (C17 H17 Cl2 NO4 S)

Compound Name

ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-5-ethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(24-dichlorophenoxy)acetamido]-5-ethylthiophene-3-carboxylate

SMILES

CCc1cc(C(OCC)=O)c(NC(COc(ccc(Cl)c2)c2Cl)=O)s1

InChI

InChI=1S/C17H17Cl2NO4S/c1-3-11-8-12(17(22)23-4-2)16(25-11)20-15(21)9-24-14-6-5-10(18)7-13(14)19/h5-8H,3-4,9H2,1-2H3,(H,20,21)

InChI Key

GKMXPLWOHYPHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-5.23

Polar Surface Area

51.250

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

2126-1176 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2126-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2126-1176?
Check Price and Availability of 2126-1176, 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 2126-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2126-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2126-1176
  • 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 2126-1176 available by request