C201-0841 Screening compound: N-cyclopropyl-1-[6-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

C201-0841 Screening compound: N-cyclopropyl-1-[6-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
C201-0841 Screening compound: N-cyclopropyl-1-[6-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0841
N-cyclopropyl-1-[6-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]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

C201-0841

Molecular Formula

C21H23F2N5O2S (C21 H23 F2 N5 O2 S)

Compound Name

N-cyclopropyl-1-[6-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

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

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C21H23F2N5O2S/c22-14-1-4-17(16(23)11-14)25-19(29)12-31-20-6-5-18(26-27-20)28-9-7-13(8-10-28)21(30)24-15-2-3-15/h1,4-6,11,13,15H,2-3,7-10,12H2,(H,24,30)(H,25,29)

InChI Key

UXHJXDZYHLBAIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-2.86

Polar Surface Area

70.908

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C201-0841 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with C201-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0841?
Check Price and Availability of C201-0841, 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 C201-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0841
  • 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 C201-0841 available by request