C613-0025 Screening compound: N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide

C613-0025 Screening compound: N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide
C613-0025 Screening compound: N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C613-0025
N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide

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

C613-0025

Molecular Formula

C21H28N6O2S (C21 H28 N6 O2 S)

Compound Name

N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide

IUPAC name

N-(4-ethoxyphenyl)-4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioamide

SMILES

CCOc(cc1)ccc1NC(N(CC1)CCN1c(cc1)nnc1N1CCOCC1)=S

InChI

InChI=1S/C21H28N6O2S/c1-2-29-18-5-3-17(4-6-18)22-21(30)27-11-9-25(10-12-27)19-7-8-20(24-23-19)26-13-15-28-16-14-26/h3-8H,2,9-16H2,1H3,(H,22,30)

InChI Key

NYRMNBQHUPSJPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.40

Polar Surface Area

53.552

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C613-0025 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C613-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C613-0025?
Check Price and Availability of C613-0025, 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 C613-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C613-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C613-0025
  • 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 C613-0025 available by request