8009-9087 Screening compound: (3Z)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1H-indol-2-one

8009-9087 Screening compound: (3Z)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1H-indol-2-one
8009-9087 Screening compound: (3Z)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9087
(3Z)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1H-indol-2-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

8009-9087

Molecular Formula

C25H20F3N3O (C25 H20 F3 N3 O)

Compound Name

(3Z)-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-1-[(1234-tetrahydroisoquinolin-2-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]imino}-23-dihydro-1H-indol-2-one

SMILES

O=C1N(CN(CC2)Cc3c2cccc3)c(cccc2)c2/C1=N/c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H20F3N3O/c26-25(27,28)19-8-5-9-20(14-19)29-23-21-10-3-4-11-22(21)31(24(23)32)16-30-13-12-17-6-1-2-7-18(17)15-30/h1-11,14H,12-13,15-16H2

InChI Key

WIKKNMOJGPBWRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

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

5.395

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-5.87

Polar Surface Area

27.531

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-9087 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9087?
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What is the minimum amount of 8009-9087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9087
  • 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 8009-9087 available by request