M459-1018 Screening compound: N-(2,3-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

M459-1018 Screening compound: N-(2,3-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
M459-1018 Screening compound: N-(2,3-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-1018
N-(2,3-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)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

M459-1018

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N-(2,3-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dimethylphenyl)-2-({4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

Cc1cccc(NC(CSc2nc(N(CC3)CCN3c(cc3)ccc3OC)ccn2)=O)c1C

InChI

InChI=1S/C25H29N5O2S/c1-18-5-4-6-22(19(18)2)27-24(31)17-33-25-26-12-11-23(28-25)30-15-13-29(14-16-30)20-7-9-21(32-3)10-8-20/h4-12H,13-17H2,1-3H3,(H,27,31)

InChI Key

JBPUREKISAAUII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-4.98

Polar Surface Area

53.864

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M459-1018 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M459-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-1018?
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What is the minimum amount of M459-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-1018
  • 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 M459-1018 available by request