D174-0237 Screening compound: 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

D174-0237 Screening compound: 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
D174-0237 Screening compound: 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0237
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-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

D174-0237

Molecular Formula

C17H17ClN2O2S (C17 H17 ClN2 O2 S)

Compound Name

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

SMILES

CN(C)C(CNC(c(sc1c2cccc1)c2Cl)=O)c1ccco1

InChI

InChI=1S/C17H17ClN2O2S/c1-20(2)12(13-7-5-9-22-13)10-19-17(21)16-15(18)11-6-3-4-8-14(11)23-16/h3-9,12H,10H2,1-2H3,(H,19,21)/t12-/m0/s1

InChI Key

ZBEHYVVZNMJJGV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06388019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-4.23

Polar Surface Area

36.319

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D174-0237 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D174-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0237?
Check Price and Availability of D174-0237, 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 D174-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0237
  • 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 D174-0237 available by request