C378-0285 Screening compound: N-(2,4-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

C378-0285 Screening compound: N-(2,4-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
C378-0285 Screening compound: N-(2,4-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0285
N-(2,4-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

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

C378-0285

Molecular Formula

C25H21NO5 (C25 H21 NO5)

Compound Name

N-(2,4-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-N-methyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide

SMILES

CN(C(C(O1)=C(c2ccccc2)c(cccc2)c2C1=O)=O)c(ccc(OC)c1)c1OC

InChI

InChI=1S/C25H21NO5/c1-26(20-14-13-17(29-2)15-21(20)30-3)24(27)23-22(16-9-5-4-6-10-16)18-11-7-8-12-19(18)25(28)31-23/h4-15H,1-3H3

InChI Key

ZVVNTIYXVBEMJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.40

Polar Surface Area

51.210

Acid Dissociation Constant (pKa)

30.83

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C378-0285 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with C378-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0285?
Check Price and Availability of C378-0285, 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 C378-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0285
  • 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 C378-0285 available by request