F814-1715 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

F814-1715 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide
F814-1715 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F814-1715
N-[2-(4-chlorophenyl)ethyl]-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

F814-1715

Molecular Formula

C23H23ClN4OS (C23 H23 ClN4 OS)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{[6-(1234-tetrahydroisoquinolin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)Cc2c1cccc2)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C23H23ClN4OS/c24-20-7-5-17(6-8-20)11-13-25-22(29)16-30-23-10-9-21(26-27-23)28-14-12-18-3-1-2-4-19(18)15-28/h1-10H,11-16H2,(H,25,29)

InChI Key

WFGUYVOBLGUSGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.53

Polar Surface Area

47.962

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F814-1715 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F814-1715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F814-1715?
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What is the minimum amount of F814-1715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F814-1715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F814-1715
  • 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 F814-1715 available by request