C201-0494 Screening compound: N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

C201-0494 Screening compound: N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide
C201-0494 Screening compound: N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0494
N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-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

C201-0494

Molecular Formula

C23H22ClFN4OS (C23 H22 ClFN4 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

SMILES

Cc(cc1)ccc1Sc(cc1)nnc1N(CCC1)CC1C(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C23H22ClFN4OS/c1-15-4-7-18(8-5-15)31-22-11-10-21(27-28-22)29-12-2-3-16(14-29)23(30)26-17-6-9-20(25)19(24)13-17/h4-11,13,16H,2-3,12,14H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

DSXYWANCXORTHU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14729432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.87

Polar Surface Area

47.011

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C201-0494 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C201-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0494?
Check Price and Availability of C201-0494, 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 C201-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0494
  • 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 C201-0494 available by request