3455-0753 Screening compound: ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate

3455-0753 Screening compound: ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate
3455-0753 Screening compound: ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-0753
ethyl 2-acetamido-7-methoxy-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

3455-0753

Molecular Formula

C14H15NO4S (C14 H15 NO4 S)

Compound Name

ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate

SMILES

CCOC(c(c1ccc2)c(NC(C)=O)sc1c2OC)=O

InChI

InChI=1S/C14H15NO4S/c1-4-19-14(17)11-9-6-5-7-10(18-3)12(9)20-13(11)15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16)

InChI Key

YWXRVYOGFMDDRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00298463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-2.82

Polar Surface Area

51.407

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3455-0753 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3455-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0753?
Check Price and Availability of 3455-0753, 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 3455-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0753
  • 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 3455-0753 available by request