C429-0121 Screening compound: ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

C429-0121 Screening compound: ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate
C429-0121 Screening compound: ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0121
ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

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

C429-0121

Molecular Formula

C22H20N2O4 (C22 H20 N2 O4)

Compound Name

ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

IUPAC name

ethyl 3-({2-[(furan-2-yl)methyl]-3-oxo-23-dihydro-1H-isoindol-1-yl}amino)benzoate

SMILES

CCOC(c1cccc(NC(c2c3cccc2)N(Cc2ccco2)C3=O)c1)=O

InChI

InChI=1S/C22H20N2O4/c1-2-27-22(26)15-7-5-8-16(13-15)23-20-18-10-3-4-11-19(18)21(25)24(20)14-17-9-6-12-28-17/h3-13,20,23H,2,14H2,1H3/t20-/m1/s1

InChI Key

SAYPMMRWNWIMRB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14755973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.29

Polar Surface Area

53.504

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C429-0121 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 C429-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0121?
Check Price and Availability of C429-0121, 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 C429-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0121
  • 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 C429-0121 available by request