3772-7406 Screening compound: (2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

3772-7406 Screening compound: (2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
3772-7406 Screening compound: (2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-7406
(2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)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

3772-7406

Molecular Formula

C21H13N3O2 (C21 H13 N3 O2)

Compound Name

(2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide

SMILES

N#C/C(/C(Nc(cc1)ccc1C#N)=O)=C\c1ccc(-c2ccccc2)o1

InChI

InChI=1S/C21H13N3O2/c22-13-15-6-8-18(9-7-15)24-21(25)17(14-23)12-19-10-11-20(26-19)16-4-2-1-3-5-16/h1-12H,(H,24,25)

InChI Key

WZYNKTFTGOFYDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.57

Polar Surface Area

65.012

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3772-7406 in Drug Discovery

Included in Screening Libraries

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 3772-7406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-7406?
Check Price and Availability of 3772-7406, 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 3772-7406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-7406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-7406
  • 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 3772-7406 available by request