C378-0406 Screening compound: 4-(4-methylphenyl)-1-oxo-N-phenethyl-1H-isochromene-3-carboxamide

C378-0406 Screening compound: 4-(4-methylphenyl)-1-oxo-N-phenethyl-1H-isochromene-3-carboxamide
C378-0406 Screening compound: 4-(4-methylphenyl)-1-oxo-N-phenethyl-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0406
4-(4-methylphenyl)-1-oxo-N-phenethyl-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

C378-0406

Molecular Formula

C25H21NO3 (C25 H21 NO3)

Compound Name

4-(4-methylphenyl)-1-oxo-N-phenethyl-1H-isochromene-3-carboxamide

IUPAC name

4-(4-methylphenyl)-1-oxo-N-(2-phenylethyl)-1H-isochromene-3-carboxamide

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(NCCc1ccccc1)=O)OC2=O

InChI

InChI=1S/C25H21NO3/c1-17-11-13-19(14-12-17)22-20-9-5-6-10-21(20)25(28)29-23(22)24(27)26-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,27)

InChI Key

CEPOJXGOOXWUTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.52

Polar Surface Area

45.223

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C378-0406 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C378-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0406?
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What is the minimum amount of C378-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0406
  • 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 C378-0406 available by request