C612-0441 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0441 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0441 Screening compound: 2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0441
2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-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

C612-0441

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-(5-chloropyridin-2-yl)-3-[(4-ethoxyphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

CCOc(cc1)ccc1NC(c(cccc1)c1C1=O)N1c(cc1)ncc1Cl

InChI

InChI=1S/C21H18ClN3O2/c1-2-27-16-10-8-15(9-11-16)24-20-17-5-3-4-6-18(17)21(26)25(20)19-12-7-14(22)13-23-19/h3-13,20,24H,2H2,1H3/t20-/m0/s1

InChI Key

OKOFZZBMDCWCAX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14775601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.89

Polar Surface Area

40.115

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C612-0441 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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

References: we are preparing a list of scientific research reports with C612-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0441?
Check Price and Availability of C612-0441, 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 C612-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0441
  • 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 C612-0441 available by request