C447-0966 Screening compound: N-cycloheptyl-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C447-0966 Screening compound: N-cycloheptyl-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C447-0966 Screening compound: N-cycloheptyl-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0966
N-cycloheptyl-2-cyclohexyl-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

C447-0966

Molecular Formula

C22H30N2O2 (C22 H30 N2 O2)

Compound Name

N-cycloheptyl-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-cycloheptyl-2-cyclohexyl-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)NC1CCCCCC1

InChI

InChI=1S/C22H30N2O2/c25-21(23-17-10-4-1-2-5-11-17)19-14-8-9-16-15-24(22(26)20(16)19)18-12-6-3-7-13-18/h8-9,14,17-18H,1-7,10-13,15H2,(H,23,25)

InChI Key

QIBVVGKLEITDCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

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

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.81

Polar Surface Area

40.742

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

C447-0966 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C447-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0966?
Check Price and Availability of C447-0966, 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 C447-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0966
  • 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 C447-0966 available by request