3360-8755 Screening compound: ethyl 2-(acetylamino)-6-(tert-butyl)-1-benzothiophene-3-carboxylate

3360-8755 Screening compound: ethyl 2-(acetylamino)-6-(tert-butyl)-1-benzothiophene-3-carboxylate
3360-8755 Screening compound: ethyl 2-(acetylamino)-6-(tert-butyl)-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-8755
ethyl 2-(acetylamino)-6-(tert-butyl)-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

3360-8755

Molecular Formula

C17H21NO3S (C17 H21 NO3 S)

Compound Name

ethyl 2-(acetylamino)-6-(tert-butyl)-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-tert-butyl-2-acetamido-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C)=O)sc2c1ccc(C(C)(C)C)c2)=O

InChI

InChI=1S/C17H21NO3S/c1-6-21-16(20)14-12-8-7-11(17(3,4)5)9-13(12)22-15(14)18-10(2)19/h7-9H,6H2,1-5H3,(H,18,19)

InChI Key

MGKBWSKIRKCLIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.46

Polar Surface Area

43.777

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 3360-8755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-8755?
Check Price and Availability of 3360-8755, 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 3360-8755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-8755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-8755
  • 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 3360-8755 available by request