8006-6623 Screening compound: (2Z)-3-({2-[2-(4-bromophenyl)ethynyl]phenyl}carbamoyl)prop-2-enoic acid

8006-6623 Screening compound: (2Z)-3-({2-[2-(4-bromophenyl)ethynyl]phenyl}carbamoyl)prop-2-enoic acid
8006-6623 Screening compound: (2Z)-3-({2-[2-(4-bromophenyl)ethynyl]phenyl}carbamoyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6623
(2Z)-3-({2-[2-(4-bromophenyl)ethynyl]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

8006-6623

Molecular Formula

C18H12BrNO3 (C18 H12 BrNO3)

Compound Name

(2Z)-3-({2-[2-(4-bromophenyl)ethynyl]phenyl}carbamoyl)prop-2-enoic acid

IUPAC name

(2Z)-3-({2-[2-(4-bromophenyl)ethynyl]phenyl}carbamoyl)prop-2-enoic acid

SMILES

OC(/C=C\C(Nc(cccc1)c1C#Cc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C18H12BrNO3/c19-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)20-17(21)11-12-18(22)23/h1-4,6-7,9-12H,(H,20,21)(H,22,23)

InChI Key

CMZACEALZURUGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00757541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.2

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

4.879

Distribution Coefficient, logD

0.421

Water Solubility, LogSw

-4.58

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

8006-6623 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 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 8006-6623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6623?
Check Price and Availability of 8006-6623, 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 8006-6623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6623
  • 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 8006-6623 available by request