C430-5101 Screening compound: 2-cyclohexyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C430-5101 Screening compound: 2-cyclohexyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C430-5101 Screening compound: 2-cyclohexyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5101
2-cyclohexyl-N-(2-methylphenyl)-3-oxo-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

C430-5101

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

2-cyclohexyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

2-cyclohexyl-N-(2-methylphenyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

Cc(cccc1)c1NC(c(cccc1CN2C3CCCCC3)c1C2=O)=O

InChI

InChI=1S/C22H24N2O2/c1-15-8-5-6-13-19(15)23-21(25)18-12-7-9-16-14-24(22(26)20(16)18)17-10-3-2-4-11-17/h5-9,12-13,17H,2-4,10-11,14H2,1H3,(H,23,25)

InChI Key

MEEDALYYLMGDBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.39

Polar Surface Area

38.665

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C430-5101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C430-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5101?
Check Price and Availability of C430-5101, 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 C430-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5101
  • 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 C430-5101 available by request