M459-5189 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide

M459-5189 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
M459-5189 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-5189
2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide

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

M459-5189

Molecular Formula

C25H27FN4OS (C25 H27 FN4 OS)

Compound Name

2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide

SMILES

O=C(CSc1nc(N2CCC(Cc3ccccc3)CC2)ccn1)NCc(cc1)ccc1F

InChI

InChI=1S/C25H27FN4OS/c26-22-8-6-21(7-9-22)17-28-24(31)18-32-25-27-13-10-23(29-25)30-14-11-20(12-15-30)16-19-4-2-1-3-5-19/h1-10,13,20H,11-12,14-18H2,(H,28,31)

InChI Key

RTKBVAWWXFFKIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.74

Polar Surface Area

44.808

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M459-5189 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M459-5189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-5189?
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What is the minimum amount of M459-5189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-5189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-5189
  • 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 M459-5189 available by request