M179-4688 Screening compound: methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

M179-4688 Screening compound: methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
M179-4688 Screening compound: methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4688
methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-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

M179-4688

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1ncnc(N(CC2)CCN2c(cccc2)c2OC)c1)=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-33-21-6-4-3-5-20(21)29-11-13-30(14-12-29)22-15-24(27-17-26-22)35-16-23(31)28-19-9-7-18(8-10-19)25(32)34-2/h3-10,15,17H,11-14,16H2,1-2H3,(H,28,31)

InChI Key

LOPSMOZLRPEXPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.32

Polar Surface Area

76.967

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M179-4688 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 M179-4688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4688?
Check Price and Availability of M179-4688, 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 M179-4688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4688
  • 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 M179-4688 available by request