M179-4441 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}ethan-1-one

M179-4441 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}ethan-1-one
M179-4441 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4441
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}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

M179-4441

Molecular Formula

C22H28FN5OS (C22 H28 FN5 OS)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}ethan-1-one

SMILES

CC(CCCC1)N1c1cc(SCC(N(CC2)CCN2c(cc2)ccc2F)=O)ncn1

InChI

InChI=1S/C22H28FN5OS/c1-17-4-2-3-9-28(17)20-14-21(25-16-24-20)30-15-22(29)27-12-10-26(11-13-27)19-7-5-18(23)6-8-19/h5-8,14,16-17H,2-4,9-13,15H2,1H3/t17-/m0/s1

InChI Key

GPHCWRPRUTZGLS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27533412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.78

Polar Surface Area

40.991

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

M179-4441 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M179-4441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4441?
Check Price and Availability of M179-4441, 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 M179-4441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4441
  • 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 M179-4441 available by request