C447-0256 Screening compound: N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

C447-0256 Screening compound: N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
C447-0256 Screening compound: N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0256
N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-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

C447-0256

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-(4-methylphenyl)-3-oxo-2-[(pyridin-3-yl)methyl]-23-dihydro-1H-isoindole-4-carboxamide

SMILES

Cc(cc1)ccc1NC(c(cccc1CN2Cc3cnccc3)c1C2=O)=O

InChI

InChI=1S/C22H19N3O2/c1-15-7-9-18(10-8-15)24-21(26)19-6-2-5-17-14-25(22(27)20(17)19)13-16-4-3-11-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)

InChI Key

JWCSKVHIPJAOPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.25

Polar Surface Area

49.494

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C447-0256 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C447-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0256?
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What is the minimum amount of C447-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0256
  • 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 C447-0256 available by request