K936-0246 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

K936-0246 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide
K936-0246 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K936-0246
2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

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

K936-0246

Molecular Formula

C24H17F3N2O3 (C24 H17 F3 N2 O3)

Compound Name

2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-12-dihydroisoquinoline-4-carboxamide

SMILES

COc(cc1)ccc1N(C=C(C(Nc1cccc(C(F)(F)F)c1)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C24H17F3N2O3/c1-32-18-11-9-17(10-12-18)29-14-21(19-7-2-3-8-20(19)23(29)31)22(30)28-16-6-4-5-15(13-16)24(25,26)27/h2-14H,1H3,(H,28,30)

InChI Key

NNCNUJWBPKILBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.54

Polar Surface Area

46.389

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with K936-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K936-0246?
Check Price and Availability of K936-0246, 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 K936-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K936-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K936-0246
  • 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 K936-0246 available by request