M179-4653 Screening compound: N-(2,4-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-4653 Screening compound: N-(2,4-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-4653 Screening compound: N-(2,4-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4653
N-(2,4-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-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

M179-4653

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N-(2,4-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(24-dimethylphenyl)-2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1ncnc(N(CC2)CCN2c(cccc2)c2OC)c1)=O

InChI

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

InChI Key

TZEHEIUNRKGMFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533427

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

4.957

Distribution Coefficient, logD

4.957

Water Solubility, LogSw

-4.58

Polar Surface Area

55.095

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M179-4653 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M179-4653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4653?
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What is the minimum amount of M179-4653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4653
  • 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 M179-4653 available by request