2805-0025 Screening compound: N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide

2805-0025 Screening compound: N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide
2805-0025 Screening compound: N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2805-0025
N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide

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

2805-0025

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide

IUPAC name

N-(4-butoxyphenyl)-2-(quinolin-8-ylsulfanyl)acetamide

SMILES

CCCCOc(cc1)ccc1NC(CSc1cccc2cccnc12)=O

InChI

InChI=1S/C21H22N2O2S/c1-2-3-14-25-18-11-9-17(10-12-18)23-20(24)15-26-19-8-4-6-16-7-5-13-22-21(16)19/h4-13H,2-3,14-15H2,1H3,(H,23,24)

InChI Key

BOZPPRLSAAIUSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00364464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.61

Polar Surface Area

40.067

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2805-0025 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2805-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2805-0025?
Check Price and Availability of 2805-0025, 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 2805-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2805-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2805-0025
  • 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 2805-0025 available by request