K786-2097 Screening compound: 2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

K786-2097 Screening compound: 2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
K786-2097 Screening compound: 2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2097
2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-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

K786-2097

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

2-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-benzyl-N-[2-(34-dimethoxyphenyl)ethyl]-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

COc(ccc(CCNC(C(c1c2cccc1)N(Cc1ccccc1)C2=O)=O)c1)c1OC

InChI

InChI=1S/C26H26N2O4/c1-31-22-13-12-18(16-23(22)32-2)14-15-27-25(29)24-20-10-6-7-11-21(20)26(30)28(24)17-19-8-4-3-5-9-19/h3-13,16,24H,14-15,17H2,1-2H3,(H,27,29)/t24-/m0/s1

InChI Key

PCGPQUQQSJRTTG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03831214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.53

Polar Surface Area

55.804

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

K786-2097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2097?
Check Price and Availability of K786-2097, 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 K786-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2097
  • 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 K786-2097 available by request