8008-9705 Screening compound: (2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

8008-9705 Screening compound: (2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
8008-9705 Screening compound: (2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9705
(2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

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

8008-9705

Molecular Formula

C17H12Cl2N2O (C17 H12 Cl2 N2 O)

Compound Name

(2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(24-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide

SMILES

Cc(cccc1)c1NC(/C(/C#N)=C/c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C17H12Cl2N2O/c1-11-4-2-3-5-16(11)21-17(22)13(10-20)8-12-6-7-14(18)9-15(12)19/h2-9H,1H3,(H,21,22)

InChI Key

FUOGFOWHHBROQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.90

Polar Surface Area

39.688

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8008-9705 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-9705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9705?
Check Price and Availability of 8008-9705, 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 8008-9705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9705
  • 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 8008-9705 available by request