5782-3676 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-carboxamide

5782-3676 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
5782-3676 Screening compound: 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-3676
4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-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

5782-3676

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-carboxamide

IUPAC name

4-(13-dioxo-octahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)cyclohexane-1-carboxamide

SMILES

Cc(cc1)ccc1NC(C(CC1)CCC1N(C(C1C2CCCC1)=O)C2=O)=O

InChI

InChI=1S/C22H28N2O3/c1-14-6-10-16(11-7-14)23-20(25)15-8-12-17(13-9-15)24-21(26)18-4-2-3-5-19(18)22(24)27/h6-7,10-11,15,17-19H,2-5,8-9,12-13H2,1H3,(H,23,25)

InChI Key

XTQCVZLDUXVCBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02871061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-3.38

Polar Surface Area

51.996

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

5782-3676 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5782-3676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-3676?
Check Price and Availability of 5782-3676, 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 5782-3676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-3676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-3676
  • 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 5782-3676 available by request