M179-4151 Screening compound: ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

M179-4151 Screening compound: ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
M179-4151 Screening compound: ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4151
ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

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

M179-4151

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

ethyl 4-(2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[6-(35-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1ncnc(N2CC(C)CC(C)C2)c1)=O)=O

InChI

InChI=1S/C22H28N4O3S/c1-4-29-22(28)17-5-7-18(8-6-17)25-20(27)13-30-21-10-19(23-14-24-21)26-11-15(2)9-16(3)12-26/h5-8,10,14-16H,4,9,11-13H2,1-3H3,(H,25,27)

InChI Key

BRFACDOAXKNULX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.01

Polar Surface Area

65.824

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

M179-4151 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Endocrine
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M179-4151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4151?
Check Price and Availability of M179-4151, 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 M179-4151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4151
  • 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 M179-4151 available by request