2181-0078 Screening compound: 4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

2181-0078 Screening compound: 4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate
2181-0078 Screening compound: 4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0078
4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)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

2181-0078

Molecular Formula

C26H21N3O4 (C26 H21 N3 O4)

Compound Name

4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

IUPAC name

4-[(E)-({2-[(naphthalen-2-yl)amino]acetamido}imino)methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

SMILES

O=C(CNc1cc2ccccc2cc1)N/N=C/c(cc1)ccc1OC(/C=C/c1ccco1)=O

InChI

InChI=1S/C26H21N3O4/c30-25(18-27-22-10-9-20-4-1-2-5-21(20)16-22)29-28-17-19-7-11-24(12-8-19)33-26(31)14-13-23-6-3-15-32-23/h1-17,27H,18H2,(H,29,30)

InChI Key

KVDIIRXMHFUMIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00654052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-5.54

Polar Surface Area

73.107

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

2181-0078 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 2181-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0078?
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What is the minimum amount of 2181-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0078
  • 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 2181-0078 available by request