C430-0561 Screening compound: N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

C430-0561 Screening compound: N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide
C430-0561 Screening compound: N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0561
N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

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

C430-0561

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-4-isoindolinecarboxamide

IUPAC name

N-(3-ethylphenyl)-2-(2-methoxyethyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

CCc1cccc(NC(c(cccc2CN3CCOC)c2C3=O)=O)c1

InChI

InChI=1S/C20H22N2O3/c1-3-14-6-4-8-16(12-14)21-19(23)17-9-5-7-15-13-22(10-11-25-2)20(24)18(15)17/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)

InChI Key

XXTIISDLPYOCIU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

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

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.48

Polar Surface Area

48.568

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C430-0561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C430-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0561?
Check Price and Availability of C430-0561, 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 C430-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0561
  • 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 C430-0561 available by request