5241-0385 Screening compound: 2,2,2-trifluoro-1-{1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-1-one

5241-0385 Screening compound: 2,2,2-trifluoro-1-{1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-1-one
5241-0385 Screening compound: 2,2,2-trifluoro-1-{1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5241-0385
2,2,2-trifluoro-1-{1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-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

5241-0385

Molecular Formula

C21H17F3N2O2 (C21 H17 F3 N2 O2)

Compound Name

2,2,2-trifluoro-1-{1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-1-one

IUPAC name

222-trifluoro-1-{1-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-1H-indol-3-yl}ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(C(C(F)(F)F)=O)c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H17F3N2O2/c22-21(23,24)20(28)17-12-26(18-8-4-3-7-16(17)18)13-19(27)25-10-9-14-5-1-2-6-15(14)11-25/h1-8,12H,9-11,13H2

InChI Key

REKCGNPBIAGDLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.94

Polar Surface Area

31.764

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 5241-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5241-0385?
Check Price and Availability of 5241-0385, 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 5241-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5241-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5241-0385
  • 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 5241-0385 available by request