1611-4587 Screening compound: 3,6-dichloro-N~2~-(3-methoxypropyl)-1-benzothiophene-2-carboxamide

1611-4587 Screening compound: 3,6-dichloro-N~2~-(3-methoxypropyl)-1-benzothiophene-2-carboxamide
1611-4587 Screening compound: 3,6-dichloro-N~2~-(3-methoxypropyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4587
3,6-dichloro-N~2~-(3-methoxypropyl)-1-benzothiophene-2-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

1611-4587

Molecular Formula

C13H13Cl2NO2S (C13 H13 Cl2 NO2 S)

Compound Name

3,6-dichloro-N~2~-(3-methoxypropyl)-1-benzothiophene-2-carboxamide

IUPAC name

36-dichloro-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide

SMILES

COCCCNC(c(sc1c2ccc(Cl)c1)c2Cl)=O

InChI

InChI=1S/C13H13Cl2NO2S/c1-18-6-2-5-16-13(17)12-11(15)9-4-3-8(14)7-10(9)19-12/h3-4,7H,2,5-6H2,1H3,(H,16,17)

InChI Key

FXUYJDFQQWTGLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.44

Polar Surface Area

33.854

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

1611-4587 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1611-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4587?
Check Price and Availability of 1611-4587, 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 1611-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4587
  • 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 1611-4587 available by request