8018-3529 Screening compound: ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate

8018-3529 Screening compound: ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
8018-3529 Screening compound: ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3529
ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)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

8018-3529

Molecular Formula

C11H11NO5 (C11 H11 NO5)

Compound Name

ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate

IUPAC name

ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate

SMILES

CCOC(/C=C/c(cc1)cc([N+]([O-])=O)c1O)=O

InChI

InChI=1S/C11H11NO5/c1-2-17-11(14)6-4-8-3-5-10(13)9(7-8)12(15)16/h3-7,13H,2H2,1H3

InChI Key

XJVLXEOZJDFGOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-3.23

Polar Surface Area

70.026

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-3529 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3529?
Check Price and Availability of 8018-3529, 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 8018-3529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3529
  • 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 8018-3529 available by request