C128-0012 Screening compound: 1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

C128-0012 Screening compound: 1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
C128-0012 Screening compound: 1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C128-0012
1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-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

C128-0012

Molecular Formula

C24H18F3N3O2 (C24 H18 F3 N3 O2)

Compound Name

1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

IUPAC name

1-[(4-methoxyphenyl)amino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

SMILES

COc(cc1)ccc1Nc1ncc(C(Nc2cccc(C(F)(F)F)c2)=O)c2ccccc12

InChI

InChI=1S/C24H18F3N3O2/c1-32-18-11-9-16(10-12-18)29-22-20-8-3-2-7-19(20)21(14-28-22)23(31)30-17-6-4-5-15(13-17)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)

InChI Key

HUIVTFCXBLTBNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.872

Distribution Coefficient, logD

5.868

Water Solubility, LogSw

-5.87

Polar Surface Area

49.291

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C128-0012 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C128-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C128-0012?
Check Price and Availability of C128-0012, 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 C128-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C128-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C128-0012
  • 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 C128-0012 available by request