8011-9426 Screening compound: propan-2-yl 2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8011-9426 Screening compound: propan-2-yl 2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8011-9426 Screening compound: propan-2-yl 2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9426
propan-2-yl 2-(3,4-dimethoxybenzamido)-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

8011-9426

Molecular Formula

C21H25NO5S (C21 H25 NO5 S)

Compound Name

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

IUPAC name

propan-2-yl 2-(34-dimethoxybenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(cc2)cc(OC)c2OC)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H25NO5S/c1-12(2)27-21(24)18-14-7-5-6-8-17(14)28-20(18)22-19(23)13-9-10-15(25-3)16(11-13)26-4/h9-12H,5-8H2,1-4H3,(H,22,23)

InChI Key

SKSXXESXTVWIKU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-4.52

Polar Surface Area

58.738

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8011-9426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9426?
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What is the minimum amount of 8011-9426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9426
  • 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 8011-9426 available by request