1611-4585 Screening compound: 3,6-dichloro-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

1611-4585 Screening compound: 3,6-dichloro-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
1611-4585 Screening compound: 3,6-dichloro-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4585
3,6-dichloro-N-(2-phenylethyl)-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

1611-4585

Molecular Formula

C17H13Cl2NOS (C17 H13 Cl2 NOS)

Compound Name

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

IUPAC name

36-dichloro-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide

SMILES

O=C(c(sc1c2ccc(Cl)c1)c2Cl)NCCc1ccccc1

InChI

InChI=1S/C17H13Cl2NOS/c18-12-6-7-13-14(10-12)22-16(15(13)19)17(21)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,21)

InChI Key

WZUMDULOOXPZOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.63

Polar Surface Area

25.240

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1611-4585 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1611-4585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4585?
Check Price and Availability of 1611-4585, 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 1611-4585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4585
  • 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 1611-4585 available by request