C201-1614 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

C201-1614 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
C201-1614 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1614
N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)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

C201-1614

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-1-[6-(phenylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

COc1cccc(CNC(C(CC2)CCN2c(cc2)nnc2Sc2ccccc2)=O)c1

InChI

InChI=1S/C24H26N4O2S/c1-30-20-7-5-6-18(16-20)17-25-24(29)19-12-14-28(15-13-19)22-10-11-23(27-26-22)31-21-8-3-2-4-9-21/h2-11,16,19H,12-15,17H2,1H3,(H,25,29)

InChI Key

PPUCHJXUXFOJMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.105

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.19

Polar Surface Area

55.944

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C201-1614 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)

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 C201-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1614?
Check Price and Availability of C201-1614, 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 C201-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1614
  • 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 C201-1614 available by request