M422-0040 Screening compound: 4-amino-N~5~-(1-benzyl-4-piperidyl)-3-(2-pyridyl)-5-isothiazolecarboxamide

M422-0040 Screening compound: 4-amino-N~5~-(1-benzyl-4-piperidyl)-3-(2-pyridyl)-5-isothiazolecarboxamide
M422-0040 Screening compound: 4-amino-N~5~-(1-benzyl-4-piperidyl)-3-(2-pyridyl)-5-isothiazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M422-0040
4-amino-N~5~-(1-benzyl-4-piperidyl)-3-(2-pyridyl)-5-isothiazolecarboxamide

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

M422-0040

Molecular Formula

C21H23N5OS (C21 H23 N5 OS)

Compound Name

4-amino-N~5~-(1-benzyl-4-piperidyl)-3-(2-pyridyl)-5-isothiazolecarboxamide

IUPAC name

n/a

SMILES

Nc1c(C(NC2CCN(Cc3ccccc3)CC2)=O)snc1-c1ncccc1

InChI

InChI=1S/C21H23N5OS/c22-18-19(17-8-4-5-11-23-17)25-28-20(18)21(27)24-16-9-12-26(13-10-16)14-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14,22H2,(H,24,27)

InChI Key

UAPWORGIHIOMTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-2.75

Polar Surface Area

67.342

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M422-0040 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M422-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M422-0040?
Check Price and Availability of M422-0040, 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 M422-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M422-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M422-0040
  • 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 M422-0040 available by request