8014-8773 Screening compound: (2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid

8014-8773 Screening compound: (2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid
8014-8773 Screening compound: (2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8773
(2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid

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

8014-8773

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

(2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid

IUPAC name

(2Z)-3-{[2-(pyridin-4-yl)ethyl]carbamoyl}prop-2-enoic acid

SMILES

OC(/C=C\C(NCCc1ccncc1)=O)=O

InChI

InChI=1S/C11H12N2O3/c14-10(1-2-11(15)16)13-8-5-9-3-6-12-7-4-9/h1-4,6-7H,5,8H2,(H,13,14)(H,15,16)

InChI Key

AMXAQRFKRYSSLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.049

Distribution Coefficient, logD

-3.997

Water Solubility, LogSw

-1.02

Polar Surface Area

62.363

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8014-8773 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-8773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8773?
Check Price and Availability of 8014-8773, 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 8014-8773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8773
  • 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 8014-8773 available by request