C447-0837 Screening compound: 7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindol-1-one

C447-0837 Screening compound: 7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindol-1-one
C447-0837 Screening compound: 7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0837
7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindol-1-one

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

C447-0837

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

7-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc1cc(N(CC2)CCN2C(c(cccc2CN3CCOC)c2C3=O)=O)c(C)cc1

InChI

InChI=1S/C24H29N3O3/c1-17-7-8-18(2)21(15-17)25-9-11-26(12-10-25)23(28)20-6-4-5-19-16-27(13-14-30-3)24(29)22(19)20/h4-8,15H,9-14,16H2,1-3H3

InChI Key

YDGCCPHTJMOROR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.50

Polar Surface Area

45.085

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C447-0837 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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:
  • Cancer

References: we are preparing a list of scientific research reports with C447-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0837?
Check Price and Availability of C447-0837, 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 C447-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0837
  • 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 C447-0837 available by request