M181-0651 Screening compound: 2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

M181-0651 Screening compound: 2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
M181-0651 Screening compound: 2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M181-0651
2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

M181-0651

Molecular Formula

C23H23FN4OS (C23 H23 FN4 OS)

Compound Name

2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

Cc1cc(SCC(N(CC2)CCN2c2ccccc2)=O)nc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C23H23FN4OS/c1-17-15-21(26-23(25-17)18-7-9-19(24)10-8-18)30-16-22(29)28-13-11-27(12-14-28)20-5-3-2-4-6-20/h2-10,15H,11-14,16H2,1H3

InChI Key

YHZKTVOUPOSTGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.48

Polar Surface Area

37.087

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M181-0651 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M181-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M181-0651?
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What is the minimum amount of M181-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M181-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M181-0651
  • 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 M181-0651 available by request