K655-0046 Screening compound: 3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide

K655-0046 Screening compound: 3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide
K655-0046 Screening compound: 3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-phenyl-N-(prop-2-en-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K655-0046
3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-phenyl-N-(prop-2-en-1-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

K655-0046

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1C(N2c3cc(C(N(CC=C)c4ccccc4)=O)ccc3)=O)C=CCC1C2=O

InChI

InChI=1S/C25H24N2O3/c1-3-15-26(19-11-5-4-6-12-19)23(28)18-10-8-13-20(16-18)27-24(29)21-14-7-9-17(2)22(21)25(27)30/h3-13,16-17,21-22H,1,14-15H2,2H3

InChI Key

OWIRVDYTDOCNAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.38

Polar Surface Area

44.673

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

24.00

K655-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K655-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K655-0046?
Check Price and Availability of K655-0046, 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 K655-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K655-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K655-0046
  • 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 K655-0046 available by request