8016-2734 Screening compound: ethyl (E)-2-cyano-3-[4-(methylanilino)phenyl]-2-propenoate

8016-2734 Screening compound: ethyl (E)-2-cyano-3-[4-(methylanilino)phenyl]-2-propenoate
8016-2734 Screening compound: ethyl (E)-2-cyano-3-[4-(methylanilino)phenyl]-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2734
ethyl (E)-2-cyano-3-[4-(methylanilino)phenyl]-2-propenoate

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

8016-2734

Molecular Formula

C19H18N2O2 (C19 H18 N2 O2)

Compound Name

ethyl (E)-2-cyano-3-[4-(methylanilino)phenyl]-2-propenoate

IUPAC name

ethyl (2E)-2-cyano-3-{4-[methyl(phenyl)amino]phenyl}prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c(cc1)ccc1N(C)c1ccccc1)=O

InChI

InChI=1S/C19H18N2O2/c1-3-23-19(22)16(14-20)13-15-9-11-18(12-10-15)21(2)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3

InChI Key

VFIUZXHZJRVZDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00195495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.57

Polar Surface Area

40.222

Acid Dissociation Constant (pKa)

30.08

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8016-2734 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-2734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2734?
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What is the minimum amount of 8016-2734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2734
  • 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 8016-2734 available by request