8011-9319 Screening compound: 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8011-9319 Screening compound: 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8011-9319 Screening compound: 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9319
2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

8011-9319

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[2-(34-dimethylphenoxy)propanamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C(Nc1c(C(N)=O)c(CCCC2)c2s1)=O)Oc1cc(C)c(C)cc1

InChI

InChI=1S/C20H24N2O3S/c1-11-8-9-14(10-12(11)2)25-13(3)19(24)22-20-17(18(21)23)15-6-4-5-7-16(15)26-20/h8-10,13H,4-7H2,1-3H3,(H2,21,23)(H,22,24)/t13-/m0/s1

InChI Key

LQBDGJYKTCAXGK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02928217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.67

Polar Surface Area

63.893

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8011-9319 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9319?
Check Price and Availability of 8011-9319, 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 8011-9319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9319
  • 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 8011-9319 available by request