C447-0872 Screening compound: 2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

C447-0872 Screening compound: 2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
C447-0872 Screening compound: 2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0872
2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-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

C447-0872

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

2-(2-methoxyethyl)-3-oxo-N-[(thiophen-2-yl)methyl]-23-dihydro-1H-isoindole-4-carboxamide

SMILES

COCCN(Cc1cccc(C(NCc2cccs2)=O)c11)C1=O

InChI

InChI=1S/C17H18N2O3S/c1-22-8-7-19-11-12-4-2-6-14(15(12)17(19)21)16(20)18-10-13-5-3-9-23-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,20)

InChI Key

ABIUNDPGCVTMFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.97

Polar Surface Area

50.909

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C447-0872 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 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
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C447-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0872?
Check Price and Availability of C447-0872, 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 C447-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0872
  • 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 C447-0872 available by request