F814-1657 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

F814-1657 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide
F814-1657 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F814-1657
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}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

F814-1657

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{[6-(1234-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)Cc2c1cccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H22N4O3S/c28-22(24-18-5-6-19-20(13-18)30-12-11-29-19)15-31-23-8-7-21(25-26-23)27-10-9-16-3-1-2-4-17(16)14-27/h1-8,13H,9-12,14-15H2,(H,24,28)

InChI Key

SAXPGTJILYUTLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.35

Polar Surface Area

62.621

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F814-1657 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F814-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F814-1657?
Check Price and Availability of F814-1657, 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 F814-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F814-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F814-1657
  • 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 F814-1657 available by request