4488-1711 Screening compound: ethyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4488-1711 Screening compound: ethyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4488-1711 Screening compound: ethyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1711
ethyl 2-amino-6-tert-butyl-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

4488-1711

Molecular Formula

C15H23NO2S (C15 H23 NO2 S)

Compound Name

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

IUPAC name

ethyl 2-amino-6-tert-butyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(N)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C15H23NO2S/c1-5-18-14(17)12-10-7-6-9(15(2,3)4)8-11(10)19-13(12)16/h9H,5-8,16H2,1-4H3/t9-/m1/s1

InChI Key

WQXAUZCQEXYAOJ-SECBINFHSA-N

MDL Number (MFCD)

MFCD00730908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.31

Polar Surface Area

42.189

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 4488-1711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1711?
Check Price and Availability of 4488-1711, 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 4488-1711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1711
  • 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 4488-1711 available by request