2325-2091 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

2325-2091 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide
2325-2091 Screening compound: (2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2325-2091
(2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-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

2325-2091

Molecular Formula

C23H17NO4 (C23 H17 NO4)

Compound Name

(2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

IUPAC name

(2E)-3-(2-methoxyphenyl)-N-{3-oxo-3H-benzo[f]chromen-2-yl}prop-2-enamide

SMILES

COc1c(/C=C/C(NC2=Cc(c3ccccc3cc3)c3OC2=O)=O)cccc1

InChI

InChI=1S/C23H17NO4/c1-27-20-9-5-3-7-16(20)11-13-22(25)24-19-14-18-17-8-4-2-6-15(17)10-12-21(18)28-23(19)26/h2-14H,1H3,(H,24,25)

InChI Key

UFONIAMOZOVAPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-5.64

Polar Surface Area

52.360

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2325-2091 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2325-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2325-2091?
Check Price and Availability of 2325-2091, 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 2325-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2325-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2325-2091
  • 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 2325-2091 available by request