3334-3864 Screening compound: ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate

3334-3864 Screening compound: ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate
3334-3864 Screening compound: ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-3864
ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate

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

3334-3864

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate

IUPAC name

ethyl (2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C\c(cc1)ccc1N1CCN(C/C=C/c2ccccc2)CC1)=O

InChI

InChI=1S/C25H27N3O2/c1-2-30-25(29)23(20-26)19-22-10-12-24(13-11-22)28-17-15-27(16-18-28)14-6-9-21-7-4-3-5-8-21/h3-13,19H,2,14-18H2,1H3

InChI Key

ZCWBEIJXBFYJQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.36

Polar Surface Area

45.020

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3334-3864 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3334-3864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-3864?
Check Price and Availability of 3334-3864, 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 3334-3864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-3864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-3864
  • 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 3334-3864 available by request