1530-0168 Screening compound: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1530-0168 Screening compound: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1530-0168 Screening compound: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1530-0168
ethyl 2-amino-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

1530-0168

Molecular Formula

C11H15NO2S (C11 H15 NO2 S)

Compound Name

ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-amino-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(N)sc2c1CCCC2)=O

InChI

InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3

InChI Key

CDYVTVLXEWMCHU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-2.54

Polar Surface Area

42.189

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with 1530-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1530-0168?
Check Price and Availability of 1530-0168, 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 1530-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1530-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1530-0168
  • 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 1530-0168 available by request