C614-0530 Screening compound: 3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C614-0530 Screening compound: 3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C614-0530 Screening compound: 3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0530
3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-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

C614-0530

Molecular Formula

C20H16ClN3O (C20 H16 ClN3 O)

Compound Name

3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(2-chlorophenyl)amino]-2-(4-methylpyridin-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc1cc(N(C(c2c3cccc2)Nc(cccc2)c2Cl)C3=O)ncc1

InChI

InChI=1S/C20H16ClN3O/c1-13-10-11-22-18(12-13)24-19(23-17-9-5-4-8-16(17)21)14-6-2-3-7-15(14)20(24)25/h2-12,19,23H,1H3/t19-/m0/s1

InChI Key

UDZJTGJVAXCZJB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14776200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.44

Polar Surface Area

32.204

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C614-0530 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C614-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0530?
Check Price and Availability of C614-0530, 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 C614-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0530
  • 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 C614-0530 available by request