8012-9181 Screening compound: 6,7-dimethoxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindol-1-one

8012-9181 Screening compound: 6,7-dimethoxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindol-1-one
8012-9181 Screening compound: 6,7-dimethoxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9181
6,7-dimethoxy-2-[4-(trifluoromethoxy)phenyl]-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

8012-9181

Molecular Formula

C17H14F3NO4 (C17 H14 F3 NO4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN1c(cc2)ccc2OC(F)(F)F)c2C1=O)c2OC

InChI

InChI=1S/C17H14F3NO4/c1-23-13-8-3-10-9-21(16(22)14(10)15(13)24-2)11-4-6-12(7-5-11)25-17(18,19)20/h3-8H,9H2,1-2H3

InChI Key

OZUMCXIPIMYOSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.38

Polar Surface Area

37.723

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8012-9181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 8012-9181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9181?
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What is the minimum amount of 8012-9181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9181
  • 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 8012-9181 available by request