3232-1751 Screening compound: ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3232-1751 Screening compound: ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3232-1751 Screening compound: ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1751
ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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

3232-1751

Molecular Formula

C20H22ClNO4S (C20 H22 ClNO4 S)

Compound Name

ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(3-chlorophenoxy)acetamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2cccc(Cl)c2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C20H22ClNO4S/c1-3-25-20(24)18-15-8-7-12(2)9-16(15)27-19(18)22-17(23)11-26-14-6-4-5-13(21)10-14/h4-6,10,12H,3,7-9,11H2,1-2H3,(H,22,23)/t12-/m1/s1

InChI Key

PLCZWDSQLGYQEV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01530600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-6.06

Polar Surface Area

51.084

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3232-1751 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3232-1751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1751?
Check Price and Availability of 3232-1751, 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 3232-1751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1751
  • 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 3232-1751 available by request