C201-0497 Screening compound: N-(2,4-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]-3-pyridazinyl}-3-piperidinecarboxamide

C201-0497 Screening compound: N-(2,4-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]-3-pyridazinyl}-3-piperidinecarboxamide
C201-0497 Screening compound: N-(2,4-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]-3-pyridazinyl}-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0497
N-(2,4-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]-3-pyridazinyl}-3-piperidinecarboxamide

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

C201-0497

Molecular Formula

C23H22F2N4OS (C23 H22 F2 N4 OS)

Compound Name

N-(2,4-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]-3-pyridazinyl}-3-piperidinecarboxamide

IUPAC name

N-(24-difluorophenyl)-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxamide

SMILES

Cc(cc1)ccc1Sc(cc1)nnc1N(CCC1)CC1C(Nc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C23H22F2N4OS/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)26-20-9-6-17(24)13-19(20)25/h4-11,13,16H,2-3,12,14H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

CJMHAYDMWJCLFP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14729434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

5.019

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.68

Polar Surface Area

46.314

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

C201-0497 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 C201-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0497?
Check Price and Availability of C201-0497, 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 C201-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0497
  • 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 C201-0497 available by request