M459-3540 Screening compound: 2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

M459-3540 Screening compound: 2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
M459-3540 Screening compound: 2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-3540
2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)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

M459-3540

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

IUPAC name

2-({4-[4-(25-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

SMILES

Cc1cc(N(CC2)CCN2c2ccnc(SCC(Nc(cccc3)c3OC)=O)n2)c(C)cc1

InChI

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

InChI Key

TYFMWXHAEXUEBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542592

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

5.366

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.30

Polar Surface Area

53.649

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M459-3540 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M459-3540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-3540?
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What is the minimum amount of M459-3540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-3540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-3540
  • 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 M459-3540 available by request