C429-0120 Screening compound: 3-[(3,4-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one

C429-0120 Screening compound: 3-[(3,4-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
C429-0120 Screening compound: 3-[(3,4-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0120
3-[(3,4-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-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

C429-0120

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

3-[(3,4-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(34-dimethoxyphenyl)amino]-2-[(furan-2-yl)methyl]-23-dihydro-1H-isoindol-1-one

SMILES

COc(ccc(NC(c1c2cccc1)N(Cc1ccco1)C2=O)c1)c1OC

InChI

InChI=1S/C21H20N2O4/c1-25-18-10-9-14(12-19(18)26-2)22-20-16-7-3-4-8-17(16)21(24)23(20)13-15-6-5-11-27-15/h3-12,20,22H,13H2,1-2H3/t20-/m1/s1

InChI Key

OQQDWTZKVFLZRA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14755972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.60

Polar Surface Area

48.012

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C429-0120 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C429-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0120?
Check Price and Availability of C429-0120, 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 C429-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0120
  • 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 C429-0120 available by request