8011-9306 Screening compound: propan-2-yl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8011-9306 Screening compound: propan-2-yl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8011-9306 Screening compound: propan-2-yl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9306
propan-2-yl 2-(3,4,5-trimethoxybenzamido)-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

8011-9306

Molecular Formula

C22H27NO6S (C22 H27 NO6 S)

Compound Name

propan-2-yl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-(345-trimethoxybenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(cc2OC)cc(OC)c2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C22H27NO6S/c1-12(2)29-22(25)18-14-8-6-7-9-17(14)30-21(18)23-20(24)13-10-15(26-3)19(28-5)16(11-13)27-4/h10-12H,6-9H2,1-5H3,(H,23,24)

InChI Key

WTWFCPPAXLJFPP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-4.40

Polar Surface Area

66.455

Acid Dissociation Constant (pKa)

5.28

Base Dissociation Constant (pKb)

-7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 8011-9306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9306?
Check Price and Availability of 8011-9306, 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 8011-9306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9306
  • 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 8011-9306 available by request