C614-0548 Screening compound: ethyl 2-{[2-(4-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

C614-0548 Screening compound: ethyl 2-{[2-(4-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
C614-0548 Screening compound: ethyl 2-{[2-(4-methylpyridin-2-yl)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0548
ethyl 2-{[2-(4-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

C614-0548

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(c(cccc1)c1C1=O)N1c1nccc(C)c1)=O

InChI

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

InChI Key

NMNIMWFHJRQLSX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14776216

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

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.35

Polar Surface Area

52.958

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C614-0548 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 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
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0548?
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What is the minimum amount of C614-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0548
  • 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 C614-0548 available by request