C430-0109 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2,5-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C430-0109 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2,5-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C430-0109 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2,5-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0109
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(2,5-dimethoxyphenyl)amino]-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

C430-0109

Molecular Formula

C24H22N2O5 (C24 H22 N2 O5)

Compound Name

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

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-3-[(25-dimethoxyphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

COc(cc1)cc(NC(c2c3cccc2)N(Cc(cc2)cc4c2OCO4)C3=O)c1OC

InChI

InChI=1S/C24H22N2O5/c1-28-16-8-10-20(29-2)19(12-16)25-23-17-5-3-4-6-18(17)24(27)26(23)13-15-7-9-21-22(11-15)31-14-30-21/h3-12,23,25H,13-14H2,1-2H3/t23-/m1/s1

InChI Key

ULTMLNDTGMJNKH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14756339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.27

Polar Surface Area

56.594

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C430-0109 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C430-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0109?
Check Price and Availability of C430-0109, 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 C430-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0109
  • 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 C430-0109 available by request