2467-0469 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide

2467-0469 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide
2467-0469 Screening compound: (2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2467-0469
(2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]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

2467-0469

Molecular Formula

C25H19NO4 (C25 H19 NO4)

Compound Name

(2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-(4-methoxyphenyl)-N-[3-(2-oxo-2H-chromen-3-yl)phenyl]prop-2-enamide

SMILES

COc1ccc(/C=C/C(Nc2cccc(C3=Cc(cccc4)c4OC3=O)c2)=O)cc1

InChI

InChI=1S/C25H19NO4/c1-29-21-12-9-17(10-13-21)11-14-24(27)26-20-7-4-6-18(15-20)22-16-19-5-2-3-8-23(19)30-25(22)28/h2-16H,1H3,(H,26,27)

InChI Key

VQJGWWKDHPNLJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.92

Polar Surface Area

51.310

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

2467-0469 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2467-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2467-0469?
Check Price and Availability of 2467-0469, 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 2467-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2467-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2467-0469
  • 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 2467-0469 available by request