C430-0345 Screening compound: ethyl 4-{[2-(5-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

C430-0345 Screening compound: ethyl 4-{[2-(5-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
C430-0345 Screening compound: ethyl 4-{[2-(5-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0345
ethyl 4-{[2-(5-methylpyridin-2-yl)-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

C430-0345

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

ethyl 4-{[2-(5-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

IUPAC name

ethyl 4-{[2-(5-methylpyridin-2-yl)-3-oxo-23-dihydro-1H-isoindol-1-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cccc1)c1C1=O)N1c1ncc(C)cc1)=O

InChI

InChI=1S/C23H21N3O3/c1-3-29-23(28)16-9-11-17(12-10-16)25-21-18-6-4-5-7-19(18)22(27)26(21)20-13-8-15(2)14-24-20/h4-14,21,25H,3H2,1-2H3/t21-/m1/s1

InChI Key

LCMIUOHIONTNIG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14756466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.41

Polar Surface Area

53.745

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C430-0345 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 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
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C430-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0345?
Check Price and Availability of C430-0345, 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 C430-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0345
  • 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 C430-0345 available by request