8006-2632 Screening compound: (2Z)-3-{[2-(2-phenylethynyl)phenyl]carbamoyl}prop-2-enoic acid

8006-2632 Screening compound: (2Z)-3-{[2-(2-phenylethynyl)phenyl]carbamoyl}prop-2-enoic acid
8006-2632 Screening compound: (2Z)-3-{[2-(2-phenylethynyl)phenyl]carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2632
(2Z)-3-{[2-(2-phenylethynyl)phenyl]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

8006-2632

Molecular Formula

C18H13NO3 (C18 H13 NO3)

Compound Name

(2Z)-3-{[2-(2-phenylethynyl)phenyl]carbamoyl}prop-2-enoic acid

IUPAC name

(2Z)-3-{[2-(2-phenylethynyl)phenyl]carbamoyl}prop-2-enoic acid

SMILES

OC(/C=C\C(Nc(cccc1)c1C#Cc1ccccc1)=O)=O

InChI

InChI=1S/C18H13NO3/c20-17(12-13-18(21)22)19-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,(H,19,20)(H,21,22)

InChI Key

HHHFPVVMOBYDSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00813185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

-0.518

Water Solubility, LogSw

-4.01

Polar Surface Area

50.802

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-2632 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-2632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2632?
Check Price and Availability of 8006-2632, 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 8006-2632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2632
  • 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 8006-2632 available by request