M348-0168 Screening compound: 3-{3,5-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine

M348-0168 Screening compound: 3-{3,5-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine
M348-0168 Screening compound: 3-{3,5-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M348-0168
3-{3,5-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine

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

M348-0168

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

3-{3,5-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine

IUPAC name

3-{35-dimethyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}-6-phenylpyridazine

SMILES

CC(CCC1)CN1S(c1c(C)n(-c(cc2)nnc2-c2ccccc2)nc1C)(=O)=O

InChI

InChI=1S/C21H25N5O2S/c1-15-8-7-13-25(14-15)29(27,28)21-16(2)24-26(17(21)3)20-12-11-19(22-23-20)18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14H2,1-3H3/t15-/m0/s1

InChI Key

QFLUEQHKDJQNKY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27538035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.26

Polar Surface Area

67.236

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

M348-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M348-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M348-0168?
Check Price and Availability of M348-0168, 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 M348-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M348-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M348-0168
  • 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 M348-0168 available by request