C201-1902 Screening compound: 1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-carboxamide

C201-1902 Screening compound: 1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-carboxamide
C201-1902 Screening compound: 1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1902
1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-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

C201-1902

Molecular Formula

C25H27FN4OS (C25 H27 FN4 OS)

Compound Name

1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-carboxamide

IUPAC name

1-{6-[(3-fluorophenyl)sulfanyl]pyridazin-3-yl}-N-(2-phenylpropyl)piperidine-4-carboxamide

SMILES

CC(CNC(C(CC1)CCN1c(cc1)nnc1Sc1cc(F)ccc1)=O)c1ccccc1

InChI

InChI=1S/C25H27FN4OS/c1-18(19-6-3-2-4-7-19)17-27-25(31)20-12-14-30(15-13-20)23-10-11-24(29-28-23)32-22-9-5-8-21(26)16-22/h2-11,16,18,20H,12-15,17H2,1H3,(H,27,31)/t18-/m0/s1

InChI Key

VNKRSOYQEUYXSE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD26963235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

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

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.32

Polar Surface Area

48.400

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C201-1902 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C201-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1902?
Check Price and Availability of C201-1902, 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 C201-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1902
  • 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 C201-1902 available by request