5225-7830 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one

5225-7830 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one
5225-7830 Screening compound: 2-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-7830
2-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-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

5225-7830

Molecular Formula

C17H13ClF3NO3 (C17 H13 ClF3 NO3)

Compound Name

2-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[4-chloro-3-(trifluoromethyl)phenyl]-67-dimethoxy-23-dihydro-1H-isoindol-1-one

SMILES

COc(ccc(CN1c(cc2)cc(C(F)(F)F)c2Cl)c2C1=O)c2OC

InChI

InChI=1S/C17H13ClF3NO3/c1-24-13-6-3-9-8-22(16(23)14(9)15(13)25-2)10-4-5-12(18)11(7-10)17(19,20)21/h3-7H,8H2,1-2H3

InChI Key

GGQLPNDFBGFBGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.80

Polar Surface Area

31.786

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5225-7830 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5225-7830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-7830?
Check Price and Availability of 5225-7830, 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 5225-7830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-7830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-7830
  • 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 5225-7830 available by request