C430-0150 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(phenylamino)-2,3-dihydro-1H-isoindol-1-one

C430-0150 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(phenylamino)-2,3-dihydro-1H-isoindol-1-one
C430-0150 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(phenylamino)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0150
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(phenylamino)-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

C430-0150

Molecular Formula

C22H18N2O3 (C22 H18 N2 O3)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(phenylamino)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-3-(phenylamino)-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cc1)cc3c1OCO3)C2Nc1ccccc1

InChI

InChI=1S/C22H18N2O3/c25-22-18-9-5-4-8-17(18)21(23-16-6-2-1-3-7-16)24(22)13-15-10-11-19-20(12-15)27-14-26-19/h1-12,21,23H,13-14H2/t21-/m1/s1

InChI Key

RJEXAWFXVKJCLU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14756371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.13

Polar Surface Area

42.117

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C430-0150 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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 C430-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0150?
Check Price and Availability of C430-0150, 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 C430-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0150
  • 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 C430-0150 available by request