R052-1679 Screening compound: N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

R052-1679 Screening compound: N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide
R052-1679 Screening compound: N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1679
N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)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

R052-1679

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

IUPAC name

N-{3-cyano-4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl}-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(CC(Nc(cc2)cc(C#N)c2N(CC2)CCN2c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C27H28N4O3/c1-33-24-8-3-20(4-9-24)17-27(32)29-22-5-12-26(21(18-22)19-28)31-15-13-30(14-16-31)23-6-10-25(34-2)11-7-23/h3-12,18H,13-17H2,1-2H3,(H,29,32)

InChI Key

LLICMSLZACINQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.34

Polar Surface Area

61.672

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

R052-1679 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with R052-1679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1679?
Check Price and Availability of R052-1679, 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 R052-1679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1679
  • 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 R052-1679 available by request