M179-5187 Screening compound: N-benzyl-N-ethyl-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide

M179-5187 Screening compound: N-benzyl-N-ethyl-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
M179-5187 Screening compound: N-benzyl-N-ethyl-2-({6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-5187
N-benzyl-N-ethyl-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

M179-5187

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1ccccc1)C(CSc1ncnc(N(CC2)CCN2c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C26H31N5O2S/c1-3-29(18-21-7-5-4-6-8-21)26(32)19-34-25-17-24(27-20-28-25)31-15-13-30(14-16-31)22-9-11-23(33-2)12-10-22/h4-12,17,20H,3,13-16,18-19H2,1-2H3

InChI Key

BTGNULJLCJCGJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.63

Polar Surface Area

48.538

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

M179-5187 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M179-5187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-5187?
Check Price and Availability of M179-5187, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M179-5187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-5187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-5187
  • 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 M179-5187 available by request