M179-4773 Screening compound: N-(2,5-dimethylphenyl)-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-4773 Screening compound: N-(2,5-dimethylphenyl)-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-4773 Screening compound: N-(2,5-dimethylphenyl)-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4773
N-(2,5-dimethylphenyl)-2-({6-[4-(4-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

M179-4773

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N-(2,5-dimethylphenyl)-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(25-dimethylphenyl)-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc1cc(NC(CSc2ncnc(N(CC3)CCN3c(cc3)ccc3OC)c2)=O)c(C)cc1

InChI

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

InChI Key

QDJPCXBEEOJWFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592331

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

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.31

Polar Surface Area

55.309

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M179-4773 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 M179-4773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4773?
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What is the minimum amount of M179-4773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4773
  • 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 M179-4773 available by request