K655-0079 Screening compound: N-benzyl-3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzamide

K655-0079 Screening compound: N-benzyl-3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzamide
K655-0079 Screening compound: N-benzyl-3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K655-0079
N-benzyl-3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzamide

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

K655-0079

Molecular Formula

C23H22N2O3 (C23 H22 N2 O3)

Compound Name

N-benzyl-3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzamide

IUPAC name

N-benzyl-3-(4-methyl-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)benzamide

SMILES

CC(C1C(N2c3cc(C(NCc4ccccc4)=O)ccc3)=O)C=CCC1C2=O

InChI

InChI=1S/C23H22N2O3/c1-15-7-5-12-19-20(15)23(28)25(22(19)27)18-11-6-10-17(13-18)21(26)24-14-16-8-3-2-4-9-16/h2-11,13,15,19-20H,12,14H2,1H3,(H,24,26)

InChI Key

HDGBFQTWWLTXGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.85

Polar Surface Area

53.485

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.10

K655-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K655-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K655-0079?
Check Price and Availability of K655-0079, 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 K655-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K655-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K655-0079
  • 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 K655-0079 available by request